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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 14:58:58 UTC

HMDB ID

HMDB0001564

Secondary Accession Numbers

HMDB01564

Metabolite Identification

Common Name

CDP-ethanolamine

Description

CDP-ethanolamine, also known as cytidine 5’-diphosphoethanolamine, belongs to the class of organic compounds known as CDP-ethanolamines. These are phosphoethanolamines that consist of an ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen. CDP-ethanolamine is a very strong basic compound (based on its pKa). In humans, CDP-ethanolamine is involved in phosphatidylethanolamine biosynthesis. Outside of the human body, CDP-ethanolamine has been detected, but not quantified in, several different foods, such as Chinese water chestnuts, buffalo currants, red huckleberries, eggplants, and brazil nuts. This could make CDP-ethanolamine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652307092019182D          

 28 29  0  0  0  0            999 V2000
   -2.6678    1.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    1.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4054   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096    0.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -0.3105    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429    0.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -0.2981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    0.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6117    0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -0.2981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526   -1.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789   -1.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   -1.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -1.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926    0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3264   -1.5514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071   -0.3116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071   -1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926   -1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -0.3116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887   -0.3913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561    0.0936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2012    0.8782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3762    0.8782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1213    0.0936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 18 23  1  0  0  0  0
 22 23  1  0  0  0  0
 18 16  2  0  0  0  0
 20 17  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 26  1  1  6  0  0  0
 25 23  1  1  0  0  0
 28  3  1  1  0  0  0
 27  2  1  6  0  0  0
M  END

HMDB0001564
     RDKit          3D
CDP-ethanolamine
 48 49  0  0  0  0  0  0  0  0999 V2000
    8.2504    0.2120    0.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6170    0.6855    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    0.8822    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604   -0.3420    0.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138   -0.1439    0.4785 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6228    0.6928   -0.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -1.6928    0.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    0.4838    1.8532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978    1.2395    1.4687 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2605    2.0146    2.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720    2.3450    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486    0.0746    1.1474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -0.0055   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600   -1.1147   -0.2953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8350    0.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -1.1604   -0.2839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2834   -0.5333    0.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091    0.6375    0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4951    1.2007    1.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7054    0.5788    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9442    1.1245    1.4783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430   -0.5879    0.3789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730   -1.1230   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4740   -2.2323   -0.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899   -0.5767   -1.6450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5170   -0.9988   -2.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -1.1463   -1.7461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3723   -2.4740   -2.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9325    0.7387   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819   -0.8321   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0768    1.6408    1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320   -0.0613    2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806    1.1795    2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054    1.6319    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8704   -2.4020    0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    2.9159    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    0.9313   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.1947   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4190   -2.0693    0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2533   -2.2356   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3526    1.1138    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5069    2.1407    1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5735    0.5089    2.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2803    2.0900    1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    0.5149   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -1.1769   -3.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6355   -0.5309   -2.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -3.1083   -1.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
 16 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 14  1  0
 23 17  1  0
  1 29  1  0
  1 30  1  0
  2 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  7 35  1  0
 11 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  1
 16 40  1  6
 18 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 25 45  1  1
 26 46  1  0
 27 47  1  6
 28 48  1  0
M  END


  Mrv1652307092019182D          

 28 29  0  0  0  0            999 V2000
   -2.6678    1.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    1.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4054   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096    0.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -0.3105    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429    0.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -0.2981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    0.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6117    0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -0.2981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526   -1.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789   -1.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   -1.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -1.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926    0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3264   -1.5514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071   -0.3116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071   -1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926   -1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -0.3116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887   -0.3913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561    0.0936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2012    0.8782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3762    0.8782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1213    0.0936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 18 23  1  0  0  0  0
 22 23  1  0  0  0  0
 18 16  2  0  0  0  0
 20 17  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 26  1  1  6  0  0  0
 25 23  1  1  0  0  0
 28  3  1  1  0  0  0
 27  2  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0001564

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1

> <INCHI_KEY>
WVIMUEUQJFPNDK-PEBGCTIMSA-N

> <FORMULA>
C11H20N4O11P2

> <MOLECULAR_WEIGHT>
446.2442

> <EXACT_MASS>
446.060380526

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
37.43584891825323

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid

> <ALOGPS_LOGP>
-1.71

> <JCHEM_LOGP>
-4.126623927949734

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.5490577422693175

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7663510536433256

> <JCHEM_PKA_STRONGEST_BASIC>
9.998799418056006

> <JCHEM_POLAR_SURFACE_AREA>
237.67999999999995

> <JCHEM_REFRACTIVITY>
100.13519999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.32e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001564
     RDKit          3D
CDP-ethanolamine
 48 49  0  0  0  0  0  0  0  0999 V2000
    8.2504    0.2120    0.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6170    0.6855    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    0.8822    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604   -0.3420    0.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138   -0.1439    0.4785 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6228    0.6928   -0.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -1.6928    0.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    0.4838    1.8532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978    1.2395    1.4687 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2605    2.0146    2.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720    2.3450    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486    0.0746    1.1474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -0.0055   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600   -1.1147   -0.2953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8350    0.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -1.1604   -0.2839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2834   -0.5333    0.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091    0.6375    0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4951    1.2007    1.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7054    0.5788    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9442    1.1245    1.4783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430   -0.5879    0.3789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730   -1.1230   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4740   -2.2323   -0.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899   -0.5767   -1.6450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5170   -0.9988   -2.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -1.1463   -1.7461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3723   -2.4740   -2.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9325    0.7387   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819   -0.8321   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0768    1.6408    1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320   -0.0613    2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806    1.1795    2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054    1.6319    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8704   -2.4020    0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    2.9159    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    0.9313   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.1947   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4190   -2.0693    0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2533   -2.2356   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3526    1.1138    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5069    2.1407    1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5735    0.5089    2.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2803    2.0900    1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    0.5149   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -1.1769   -3.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6355   -0.5309   -2.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -3.1083   -1.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
 16 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 14  1  0
 23 17  1  0
  1 29  1  0
  1 30  1  0
  2 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  7 35  1  0
 11 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  1
 16 40  1  6
 18 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 25 45  1  1
 26 46  1  0
 27 47  1  6
 28 48  1  0
M  END

HEADER    PROTEIN                                 09-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-JUL-20         0                                  
HETATM    1  O   UNK     0      -4.980   2.896   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      -1.633   2.881   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.757  -0.580   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.578   0.190   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0       1.916  -0.580   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0       3.253   0.190   0.000  0.00  0.00           O+0
HETATM    7  P   UNK     0       4.599  -0.556   0.000  0.00  0.00           P+0
HETATM    8  O   UNK     0       5.937   0.213   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       7.275  -0.556   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.608   0.213   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       9.943  -0.556   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0       3.832  -1.893   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       5.374  -1.893   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       1.141  -1.916   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       2.687  -1.916   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -7.266   1.731   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      -9.943  -2.896   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -7.266   0.188   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -8.600  -0.582   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -8.600  -2.122   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -7.266  -2.892   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.932  -2.122   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      -5.932  -0.582   0.000  0.00  0.00           N+0
HETATM   24  O   UNK     0      -3.339  -0.730   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -4.585   0.175   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.109   1.639   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.569   1.639   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.093   0.175   0.000  0.00  0.00           C+0
CONECT    1   26                                                            
CONECT    2   27                                                            
CONECT    3    4   28                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   14   15                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   12   13                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    7                                                            
CONECT   13    7                                                            
CONECT   14    5                                                            
CONECT   15    5                                                            
CONECT   16   18                                                            
CONECT   17   20                                                            
CONECT   18   19   23   16                                                  
CONECT   19   18   20                                                       
CONECT   20   21   19   17                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   18   22   25                                                  
CONECT   24   25   28                                                       
CONECT   25   26   24   23                                                  
CONECT   26   25   27    1                                                  
CONECT   27   26   28    2                                                  
CONECT   28   27   24    3                                                  
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END

COMPND    HMDB0001564
HETATM    1  N1  UNL     1       8.250   0.212   0.050  1.00  0.00           N  
HETATM    2  C1  UNL     1       7.617   0.685   1.266  1.00  0.00           C  
HETATM    3  C2  UNL     1       6.128   0.882   1.067  1.00  0.00           C  
HETATM    4  O1  UNL     1       5.560  -0.342   0.704  1.00  0.00           O  
HETATM    5  P1  UNL     1       3.914  -0.144   0.478  1.00  0.00           P  
HETATM    6  O2  UNL     1       3.623   0.693  -0.751  1.00  0.00           O  
HETATM    7  O3  UNL     1       3.247  -1.693   0.208  1.00  0.00           O  
HETATM    8  O4  UNL     1       3.158   0.484   1.853  1.00  0.00           O  
HETATM    9  P2  UNL     1       1.698   1.239   1.469  1.00  0.00           P  
HETATM   10  O5  UNL     1       1.260   2.015   2.691  1.00  0.00           O  
HETATM   11  O6  UNL     1       1.872   2.345   0.204  1.00  0.00           O  
HETATM   12  O7  UNL     1       0.549   0.075   1.147  1.00  0.00           O  
HETATM   13  C3  UNL     1       0.194  -0.005  -0.181  1.00  0.00           C  
HETATM   14  C4  UNL     1      -0.860  -1.115  -0.295  1.00  0.00           C  
HETATM   15  O8  UNL     1      -1.963  -0.835   0.464  1.00  0.00           O  
HETATM   16  C5  UNL     1      -3.087  -1.160  -0.284  1.00  0.00           C  
HETATM   17  N2  UNL     1      -4.283  -0.533   0.187  1.00  0.00           N  
HETATM   18  C6  UNL     1      -4.309   0.637   0.857  1.00  0.00           C  
HETATM   19  C7  UNL     1      -5.495   1.201   1.290  1.00  0.00           C  
HETATM   20  C8  UNL     1      -6.705   0.579   1.050  1.00  0.00           C  
HETATM   21  N3  UNL     1      -7.944   1.124   1.478  1.00  0.00           N  
HETATM   22  N4  UNL     1      -6.643  -0.588   0.379  1.00  0.00           N  
HETATM   23  C9  UNL     1      -5.473  -1.123  -0.037  1.00  0.00           C  
HETATM   24  O9  UNL     1      -5.474  -2.232  -0.669  1.00  0.00           O  
HETATM   25  C10 UNL     1      -2.690  -0.577  -1.645  1.00  0.00           C  
HETATM   26  O10 UNL     1      -3.517  -0.999  -2.653  1.00  0.00           O  
HETATM   27  C11 UNL     1      -1.289  -1.146  -1.746  1.00  0.00           C  
HETATM   28  O11 UNL     1      -1.372  -2.474  -2.194  1.00  0.00           O  
HETATM   29  H1  UNL     1       7.933   0.739  -0.778  1.00  0.00           H  
HETATM   30  H2  UNL     1       8.082  -0.832  -0.063  1.00  0.00           H  
HETATM   31  H3  UNL     1       8.077   1.641   1.563  1.00  0.00           H  
HETATM   32  H4  UNL     1       7.732  -0.061   2.077  1.00  0.00           H  
HETATM   33  H5  UNL     1       5.681   1.180   2.032  1.00  0.00           H  
HETATM   34  H6  UNL     1       5.905   1.632   0.306  1.00  0.00           H  
HETATM   35  H7  UNL     1       3.870  -2.402   0.522  1.00  0.00           H  
HETATM   36  H8  UNL     1       2.658   2.916   0.445  1.00  0.00           H  
HETATM   37  H9  UNL     1      -0.305   0.931  -0.462  1.00  0.00           H  
HETATM   38  H10 UNL     1       1.022  -0.195  -0.868  1.00  0.00           H  
HETATM   39  H11 UNL     1      -0.419  -2.069   0.016  1.00  0.00           H  
HETATM   40  H12 UNL     1      -3.253  -2.236  -0.344  1.00  0.00           H  
HETATM   41  H13 UNL     1      -3.353   1.114   1.038  1.00  0.00           H  
HETATM   42  H14 UNL     1      -5.507   2.141   1.827  1.00  0.00           H  
HETATM   43  H15 UNL     1      -8.573   0.509   2.033  1.00  0.00           H  
HETATM   44  H16 UNL     1      -8.280   2.090   1.285  1.00  0.00           H  
HETATM   45  H17 UNL     1      -2.602   0.515  -1.540  1.00  0.00           H  
HETATM   46  H18 UNL     1      -2.993  -1.177  -3.460  1.00  0.00           H  
HETATM   47  H19 UNL     1      -0.635  -0.531  -2.394  1.00  0.00           H  
HETATM   48  H20 UNL     1      -1.003  -3.108  -1.547  1.00  0.00           H  
CONECT    1    2   29   30
CONECT    2    3   31   32
CONECT    3    4   33   34
CONECT    4    5
CONECT    5    6    6    7    8
CONECT    7   35
CONECT    8    9
CONECT    9   10   10   11   12
CONECT   11   36
CONECT   12   13
CONECT   13   14   37   38
CONECT   14   15   27   39
CONECT   15   16
CONECT   16   17   25   40
CONECT   17   18   23
CONECT   18   19   19   41
CONECT   19   20   42
CONECT   20   21   22   22
CONECT   21   43   44
CONECT   22   23
CONECT   23   24   24
CONECT   25   26   27   45
CONECT   26   46
CONECT   27   28   47
CONECT   28   48
END

HMDB0001564
     RDKit          3D
CDP-ethanolamine
 48 49  0  0  0  0  0  0  0  0999 V2000
    8.2504    0.2120    0.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6170    0.6855    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    0.8822    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604   -0.3420    0.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138   -0.1439    0.4785 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6228    0.6928   -0.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -1.6928    0.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579    0.4838    1.8532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978    1.2395    1.4687 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2605    2.0146    2.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720    2.3450    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486    0.0746    1.1474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -0.0055   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600   -1.1147   -0.2953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8350    0.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -1.1604   -0.2839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2834   -0.5333    0.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091    0.6375    0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4951    1.2007    1.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7054    0.5788    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9442    1.1245    1.4783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430   -0.5879    0.3789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730   -1.1230   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4740   -2.2323   -0.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899   -0.5767   -1.6450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5170   -0.9988   -2.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -1.1463   -1.7461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3723   -2.4740   -2.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9325    0.7387   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819   -0.8321   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0768    1.6408    1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320   -0.0613    2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806    1.1795    2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054    1.6319    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8704   -2.4020    0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    2.9159    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    0.9313   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.1947   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4190   -2.0693    0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2533   -2.2356   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3526    1.1138    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5069    2.1407    1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5735    0.5089    2.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2803    2.0900    1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    0.5149   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -1.1769   -3.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6355   -0.5309   -2.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -3.1083   -1.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
 16 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 14  1  0
 23 17  1  0
  1 29  1  0
  1 30  1  0
  2 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  7 35  1  0
 11 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  1
 16 40  1  6
 18 41  1  0
 19 42  1  0
 21 43  1  0
 21 44  1  0
 25 45  1  1
 26 46  1  0
 27 47  1  6
 28 48  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
CDP Ethanolamine	ChEBI
Cytidine 5'-(trihydrogen diphosphate), p'-(2-aminoethyl) ester	ChEBI
Cytidine diphosphate ethanolamine	ChEBI
Cytidine 5'-(trihydrogen diphosphoric acid), p'-(2-aminoethyl) ester	Generator
Cytidine diphosphoric acid ethanolamine	Generator
CDPethanolamine	HMDB
CDP Ethanolamine, p'-(32)P-labeled	MeSH, HMDB
CDP-ethanolamine	HMDB
Cytidine 5'-diphosphate ethanolamine	HMDB
Cytidine 5'-diphosphoethanolamine	HMDB
Cytidine 5’-diphosphate ethanolamine	HMDB
Cytidine 5’-diphosphoethanolamine	HMDB
Cytidine diphosphoethanolamine	HMDB

Chemical Formula

C₁₁H₂₀N₄O₁₁P₂

Average Molecular Weight

446.2442

Monoisotopic Molecular Weight

446.060380526

IUPAC Name

(2-aminoethoxy)[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid

Traditional Name

2-aminoethoxy({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid

CAS Registry Number

3036-18-8

SMILES

NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O

InChI Identifier

InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1

InChI Key

WVIMUEUQJFPNDK-PEBGCTIMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cdp-ethanolamines. These are phosphoethanolamines that consist of an ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine ribonucleotides

Direct Parent

CDP-ethanolamines

Alternative Parents

Substituents

Cdp-ethanolamine
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Phosphoethanolamine
Hydroxypyrimidine
Monoalkyl phosphate
Hydropyrimidine
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Tetrahydrofuran
Heteroaromatic compound
1,2-diol
Secondary alcohol
Organoheterocyclic compound
Azacycle
Oxacycle
Primary amine
Organic oxide
Amine
Alcohol
Organopnictogen compound
Primary aliphatic amine
Organonitrogen compound
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nucleotide-(amino alcohol)s (CHEBI:16732 )
phosphoethanolamine (CHEBI:16732 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Not Available	187.9	http://allccs.zhulab.cn/database/detail?ID=AllCCS00002086

Predicted Molecular Properties

Property	Value	Source
Water Solubility	13.2 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-4.1	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	10	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	237.68 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	100.14 m³·mol⁻¹	ChemAxon
Polarizability	37.44 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	201.563	31661259
DarkChem	[M-H]-	195.121	31661259
AllCCS	[M+H]+	190.569	32859911
AllCCS	[M-H]-	186.612	32859911
DeepCCS	[M+H]+	177.712	30932474
DeepCCS	[M-H]-	175.315	30932474
DeepCCS	[M-2H]-	208.378	30932474
DeepCCS	[M+Na]+	183.624	30932474
AllCCS	[M+H]+	190.6	32859911
AllCCS	[M+H-H2O]+	188.5	32859911
AllCCS	[M+NH4]+	192.5	32859911
AllCCS	[M+Na]+	193.0	32859911
AllCCS	[M-H]-	186.6	32859911
AllCCS	[M+Na-2H]-	187.0	32859911
AllCCS	[M+HCOO]-	187.7	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.25 minutes	32390414
Predicted by Siyang on May 30, 2022	9.3743 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.54 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	540.0 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	382.7 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	249.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	32.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	173.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	60.9 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	322.1 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	267.1 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1004.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	547.5 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	49.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	594.7 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	188.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	320.4 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	1044.9 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	627.5 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	563.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
CDP-ethanolamine	NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O	4174.4	Standard polar	33892256
CDP-ethanolamine	NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O	3065.7	Standard non polar	33892256
CDP-ethanolamine	NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O	3974.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
CDP-ethanolamine,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N)=NC1=O	3670.7	Semi standard non polar	33892256
CDP-ethanolamine,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3667.1	Semi standard non polar	33892256
CDP-ethanolamine,1TMS,isomer #3	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	3720.0	Semi standard non polar	33892256
CDP-ethanolamine,1TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	3715.7	Semi standard non polar	33892256
CDP-ethanolamine,1TMS,isomer #5	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	3753.1	Semi standard non polar	33892256
CDP-ethanolamine,1TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)C=C1	3726.6	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3552.6	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #10	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3649.1	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #11	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	3687.5	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3707.1	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)C=C1	3701.8	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3681.4	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #15	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3734.3	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #16	C[Si](C)(C)N(CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C	3881.6	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #17	C[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C	3680.2	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N)=NC1=O	3608.9	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3614.8	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #4	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3615.2	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3645.6	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3612.6	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3617.3	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #8	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3619.5	Semi standard non polar	33892256
CDP-ethanolamine,2TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3642.1	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3510.3	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3257.4	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	6115.4	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3634.9	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3544.9	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	5812.2	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3733.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3557.3	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	6063.9	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3551.9	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3406.3	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5908.2	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3555.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3307.0	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	5845.2	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3568.9	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3433.2	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	5739.6	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3621.1	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3366.2	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	5730.2	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #16	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3571.7	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #16	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3435.0	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #16	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	5731.8	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3623.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3370.0	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	5724.5	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #18	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3630.6	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #18	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3524.6	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #18	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	5797.6	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3739.3	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3541.6	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	6041.3	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3512.9	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3260.8	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	6108.4	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3554.9	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3387.4	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	5884.4	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #21	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3608.0	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #21	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3520.6	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #21	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	5526.7	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3666.6	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3459.1	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	5514.8	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #23	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3692.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #23	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3596.0	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #23	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	5535.9	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #24	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	3802.0	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #24	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	3606.1	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #24	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	5871.8	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #25	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3616.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #25	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3467.4	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #25	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	5706.4	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #26	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3690.2	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #26	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3596.5	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #26	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	5553.3	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #27	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	3611.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #27	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	3463.2	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #27	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	5712.6	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #28	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	3796.9	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #28	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	3597.8	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #28	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	5880.1	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #29	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3893.1	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #29	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3660.0	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #29	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	5949.4	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3528.6	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3395.2	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5967.2	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #30	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3633.7	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #30	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3569.0	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #30	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	5785.6	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3575.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3326.9	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	5962.5	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3555.0	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3334.9	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	5865.5	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3563.2	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3455.9	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	5761.1	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3627.6	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3389.8	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	5751.7	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #8	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3567.1	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #8	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3456.3	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #8	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	5754.5	Standard polar	33892256
CDP-ethanolamine,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3630.4	Semi standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3394.1	Standard non polar	33892256
CDP-ethanolamine,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	5746.9	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3471.8	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3219.9	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	5754.8	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3617.5	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3360.6	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	5245.5	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #11	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3619.4	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #11	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3538.3	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #11	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	5242.3	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3685.8	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3536.6	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	5608.2	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3564.7	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3377.8	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5401.3	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3622.5	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3536.6	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	5225.8	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3686.0	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3540.1	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	5601.7	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3564.7	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3381.0	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5399.6	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3793.8	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3614.7	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	5603.7	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #18	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3561.1	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #18	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3516.0	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #18	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	5424.6	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #19	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3527.3	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #19	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3403.3	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #19	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	5242.4	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #2	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3489.3	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #2	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3369.0	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #2	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	5540.7	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3613.0	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3331.0	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	5217.5	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #21	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3618.8	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #21	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3511.5	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #21	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	5212.5	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3690.1	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3511.4	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	5585.4	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3568.1	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3353.6	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	5375.7	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #24	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3619.9	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #24	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3512.1	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #24	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	5206.6	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3688.7	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3515.6	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	5579.9	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3568.6	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3356.3	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	5376.1	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3789.9	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3591.4	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	5588.0	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #28	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3557.4	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #28	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3494.3	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #28	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	5406.5	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #29	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3658.5	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #29	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3572.3	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #29	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4944.7	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3569.7	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3300.7	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	5516.1	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #30	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3721.8	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #30	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3579.9	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #30	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	5373.8	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #31	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3609.7	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #31	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3427.7	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #31	C[Si](C)(C)OP(=O)(OCCN)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	5164.1	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3840.8	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3652.6	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	5335.6	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #33	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3611.8	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #33	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3555.4	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #33	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	5144.6	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3837.6	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3646.6	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	5354.2	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #35	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3608.1	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #35	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3555.4	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #35	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	5163.0	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #36	C[Si](C)(C)N(CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C	3781.6	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #36	C[Si](C)(C)N(CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C	3651.3	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #36	C[Si](C)(C)N(CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C	5560.8	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #4	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3488.7	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #4	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3370.1	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #4	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5537.0	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3570.2	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3303.7	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	5517.2	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3576.3	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3486.8	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5513.8	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3640.6	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3484.9	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	5825.0	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3512.9	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3332.2	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	5639.4	Standard polar	33892256
CDP-ethanolamine,4TMS,isomer #9	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3522.7	Semi standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #9	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3433.4	Standard non polar	33892256
CDP-ethanolamine,4TMS,isomer #9	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	5269.3	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3467.8	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3328.3	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	5107.1	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3527.7	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3442.0	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5105.6	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #11	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3610.1	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #11	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3509.8	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #11	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4648.7	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3650.6	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3501.9	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	5152.3	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3571.4	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3334.0	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4932.6	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3783.4	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3598.4	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	5050.1	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #15	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3573.5	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #15	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3486.7	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #15	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4830.4	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3781.4	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3602.6	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	5032.6	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #17	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3573.9	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #17	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	3488.7	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #17	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4813.9	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3738.2	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3598.4	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5214.6	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #19	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3611.3	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #19	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3478.8	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #19	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4610.4	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3558.9	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3276.6	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	5077.5	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3656.0	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3476.1	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	5123.3	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3579.0	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3310.9	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	4900.7	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3784.8	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3570.3	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	5018.2	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #23	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3578.8	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #23	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3462.6	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #23	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4795.9	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3781.3	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3575.3	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	5014.5	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #25	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3576.6	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #25	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	3464.5	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #25	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C	4793.4	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3736.9	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3575.5	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	5195.4	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3804.4	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	3623.0	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4779.8	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #28	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3610.7	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #28	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3511.6	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #28	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4559.4	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #29	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3774.8	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #29	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3633.7	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #29	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4958.0	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3573.5	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3451.3	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #3	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4923.8	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	3771.9	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	3628.8	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C	4975.7	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3611.5	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3451.9	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	5401.3	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3530.5	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3292.6	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	5183.0	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3571.1	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3451.7	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #6	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4923.8	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3607.8	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3454.6	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	5397.6	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3527.5	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3295.2	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	5185.4	Standard polar	33892256
CDP-ethanolamine,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3738.8	Semi standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3554.4	Standard non polar	33892256
CDP-ethanolamine,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	5317.7	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3566.6	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3414.8	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #1	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4399.6	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3583.7	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	3450.5	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #10	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4292.7	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3743.8	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3563.7	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4667.1	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3741.4	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3569.1	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4650.6	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3778.0	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	3534.4	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4471.4	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3589.4	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3426.5	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #14	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4254.6	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3753.0	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3541.4	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	4633.1	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3747.8	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	3545.8	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	4630.0	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #17	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3771.6	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #17	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3585.3	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #17	C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4425.3	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3604.7	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	3420.4	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	4992.9	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3572.1	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3269.2	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	4762.8	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3746.1	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3519.1	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4757.7	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #5	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3550.7	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #5	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3407.7	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #5	C[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4540.0	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3742.8	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	3520.7	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4755.6	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #7	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3547.2	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #7	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3407.7	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #7	C[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4539.1	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3705.2	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	3525.9	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	4926.9	Standard polar	33892256
CDP-ethanolamine,6TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3770.3	Semi standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	3562.8	Standard non polar	33892256
CDP-ethanolamine,6TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4507.9	Standard polar	33892256
CDP-ethanolamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N)=NC1=O	3903.8	Semi standard non polar	33892256
CDP-ethanolamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3903.0	Semi standard non polar	33892256
CDP-ethanolamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	3954.2	Semi standard non polar	33892256
CDP-ethanolamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	3948.7	Semi standard non polar	33892256
CDP-ethanolamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4011.0	Semi standard non polar	33892256
CDP-ethanolamine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)C=C1	4007.0	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4018.5	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4081.8	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4140.3	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	4172.4	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)C=C1	4166.9	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4134.9	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4248.0	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	4250.6	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C(C)(C)C	4083.0	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N)=NC1=O	4050.5	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	4058.8	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4101.6	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	4127.1	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4051.1	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4057.0	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4098.5	Semi standard non polar	33892256
CDP-ethanolamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	4123.3	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4159.3	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3718.4	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	6138.6	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4328.0	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4032.7	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5789.5	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	4352.2	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3993.2	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	6034.3	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O	4203.6	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O	3907.9	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@H]1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O	5873.3	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4183.3	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3713.5	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	5878.9	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4232.6	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3870.0	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5776.5	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	4288.8	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	3812.7	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	5743.8	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4236.5	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3870.1	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5772.6	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	4292.3	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	3814.4	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	5745.3	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4323.2	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4001.4	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5771.5	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4350.1	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	3965.1	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	6013.5	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4162.4	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3720.2	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	6134.6	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O	4199.1	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O	3881.4	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCCN)O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@@H]1O	5851.0	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4256.0	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3905.1	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	5563.5	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	4317.3	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	3854.3	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	5539.1	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4368.2	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4026.3	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	5569.2	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4375.8	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	3996.1	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	5867.6	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4240.8	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	3914.0	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	5687.8	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4361.7	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4027.0	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	5586.0	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	4235.4	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	3911.4	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN	5687.5	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4374.7	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3993.3	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5873.1	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	4530.4	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	4106.1	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	5859.2	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4205.6	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3876.4	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	6008.4	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4262.8	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4062.3	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	5715.8	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	4243.4	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	3824.1	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	5983.7	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	4179.0	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	3743.7	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	5902.4	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4233.5	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3903.2	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	5799.5	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	4285.4	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	3846.0	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	5767.0	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4238.9	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3902.1	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCOP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5794.2	Standard polar	33892256
CDP-ethanolamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	4292.0	Semi standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	3848.0	Standard non polar	33892256
CDP-ethanolamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	5766.5	Standard polar	33892256

Spectra

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Intestine
Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Plasmalogen Synthesis		Not Available
Phosphatidylcholine Biosynthesis		Not Available
Phosphatidylcholine Biosynthesis PC(14:0/14:0)		Not Available
Phosphatidylcholine Biosynthesis PC(14:0/14:1(9Z))		Not Available
Phosphatidylcholine Biosynthesis PC(14:0/15:0)		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022691

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

3538

PubChem Compound

123727

PDB ID

Not Available

ChEBI ID

16732

Food Biomarker Ontology

Not Available

VMH ID

CDPEA

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Ito H, Yamamoto H, Kimura Y, Kambe H, Okochi T, Kishimoto S: Affinity chromatography of human plasma gelsolin with polyphosphate compounds on immobilized Cibacron Blue F3GA. J Chromatogr. 1990 Apr 6;526(2):397-406. [PubMed:2163407 ]
Liebich HM, Di Stefano C, Wixforth A, Schmid HR: Quantitation of urinary nucleosides by high-performance liquid chromatography. J Chromatogr A. 1997 Feb 28;763(1-2):193-7. [PubMed:9129323 ]
Colonna A, Russo T, Esposito F, Salvatore F, Cimino F: Determination of pseudouridine and other nucleosides in human blood serum by high-performance liquid chromatography. Anal Biochem. 1983 Apr 1;130(1):19-26. [PubMed:6869800 ]
Thorell L, Sjoberg LB, Hernell O: Nucleotides in human milk: sources and metabolism by the newborn infant. Pediatr Res. 1996 Dec;40(6):845-52. [PubMed:8947961 ]
Mills GC, Schmalstieg FC, Goldblum RM: Urinary excretion of modified purines and nucleosides in immunodeficient children. Biochem Med. 1985 Aug;34(1):37-51. [PubMed:4052062 ]
Weiss GB: Metabolism and actions of CDP-choline as an endogenous compound and administered exogenously as citicoline. Life Sci. 1995;56(9):637-60. [PubMed:7869846 ]
Herbert KE, Scott DL, Perrett D: Determination of cytidine deaminase activity in synovial fluid by HPLC. J Pharm Biomed Anal. 1989;7(6):737-45. [PubMed:2490776 ]
Hirt A, Wagner HP: Nuclear incorporation of radioactive DNA precursors and progression of cells through S. Combined radioautographic and cytophotometric studies on normal and leukaemic bone marrow and thoracic duct lymph cells of man. Cell Tissue Kinet. 1975 Sep;8(5):455-66. [PubMed:1058744 ]
Parsons NJ, Ashton PR, Constantinidou C, Cole JA, Smith H: Identification by mass spectrometry of CMP-NANA in diffusible material released from high M(r) blood cell fractions that confers serum resistance on gonococci. Microb Pathog. 1993 Apr;14(4):329-35. [PubMed:8326856 ]
Pery P, Luffau G, Charley J, Petit A, Rouze P, Bernard S: Cytidine-5'-diphospho-choline conjugates. II.--Immunogenicity in rats. Ann Immunol (Paris). 1979 Jul-Aug;130C(4):531-40. [PubMed:496401 ]
Goldner M, Emond JP, Germani E, Launay JM, Dublanchet A: [Kinetics of sialylation of Neisseria gonorrhoeae by radiolabelled cytidine 5'monophospho-N-acetyl neuraminic acid]. Pathol Biol (Paris). 1996 Apr;44(4):249-53. [PubMed:8763586 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details

1. Ethanolamine-phosphate cytidylyltransferase

General function:: Involved in catalytic activity
Specific function:: Plays an important role in the biosynthesis of the phospholipid phosphatidylethanolamine. Catalyzes the formation of CDP-ethanolamine.
Gene Name:: PCYT2
Uniprot ID:: Q99447
Molecular weight:: 35199.52

Reactions

Cytidine triphosphate + O-Phosphoethanolamine → Pyrophosphate + CDP-ethanolamine	details

Enzyme Details

2. Choline/ethanolaminephosphotransferase 1

General function:: Involved in phosphotransferase activity, for other substituted phosphate groups
Specific function:: Catalyzes both phosphatidylcholine and phosphatidylethanolamine biosynthesis from CDP-choline and CDP-ethanolamine, respectively. Involved in protein-dependent process of phospholipid transport to distribute phosphatidyl choline to the lumenal surface. Has a higher cholinephosphotransferase activity than ethanolaminephosphotransferase activity.
Gene Name:: CEPT1
Uniprot ID:: Q9Y6K0
Molecular weight:: 46553.135

Reactions

CDP-ethanolamine + 1,2-diacylglycerol → Cytidine monophosphate + a phosphatidylethanolamine	details
CDP-ethanolamine + 1,2-Diacyl-sn-glycerol → Cytidine monophosphate + Phosphatidylethanolamine	details
CDP-ethanolamine + 1-Alkyl-2-acylglycerol → Cytidine monophosphate + 1-Alkyl-2-acylglycerophosphoethanolamine	details
O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine + Cytidine monophosphate → 1-Alkenyl-2-acylglycerol + CDP-ethanolamine	details

Enzyme Details

3. Ethanolaminephosphotransferase 1

General function:: Involved in phosphotransferase activity, for other substituted phosphate groups
Specific function:: Catalyzes phosphatidylethanolamine biosynthesis from CDP-ethanolamine. It thereby plays a central role in the formation and maintenance of vesicular membranes. Involved in the formation of phosphatidylethanolamine via 'Kennedy' pathway.
Gene Name:: EPT1
Uniprot ID:: Q9C0D9
Molecular weight:: 45228.42

Reactions

CDP-ethanolamine + 1,2-diacylglycerol → Cytidine monophosphate + a phosphatidylethanolamine	details
CDP-ethanolamine + 1,2-Diacyl-sn-glycerol → Cytidine monophosphate + Phosphatidylethanolamine	details
CDP-ethanolamine + 1-Alkyl-2-acylglycerol → Cytidine monophosphate + 1-Alkyl-2-acylglycerophosphoethanolamine	details
O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine + Cytidine monophosphate → 1-Alkenyl-2-acylglycerol + CDP-ethanolamine	details

Showing metabocard for CDP-ethanolamine (HMDB0001564)

MOL for HMDB0001564 (CDP-ethanolamine)

3D MOL for HMDB0001564 (CDP-ethanolamine)

3D SDF for HMDB0001564 (CDP-ethanolamine)

3D-SDF for HMDB0001564 (CDP-ethanolamine)

PDB for HMDB0001564 (CDP-ethanolamine)

3D PDB for HMDB0001564 (CDP-ethanolamine)

SMILES for HMDB0001564 (CDP-ethanolamine)

INCHI for HMDB0001564 (CDP-ethanolamine)

Structure for HMDB0001564 (CDP-ethanolamine)

3D Structure for HMDB0001564 (CDP-ethanolamine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

Enzymes

Reactions

Reactions

Reactions