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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2018-06-07 00:54:57 UTC

Update Date

2022-03-07 03:18:15 UTC

HMDB ID

HMDB0240288

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Tromethamine

Description

Tromethamine, also known as trometamol or tham, belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. Tromethamine is a drug which is used for the prevention and correction of metabolic acidosis. Tromethamine exists as a solid, soluble (in water), and a very weakly acidic compound (based on its pKa). Tromethamine is also a parent compound for other transformation products, including but not limited to, bis-tris, bis-tris propane, and N-tris(hydroxymethyl)methylglycine.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1,1,1-Tris(hydroxymethyl)methanamine	ChEBI
2-Amino-2-(hydroxymethyl)-1,3-propanediol	ChEBI
Aminotris(hydroxymethyl)methane	ChEBI
THAM	ChEBI
Tris amino	ChEBI
Tris base	ChEBI
Tris buffer	ChEBI
Tris(hydroxymethyl)aminomethane	ChEBI
Tris-base	ChEBI
Trizma	ChEBI
Trometamol	ChEBI
Abbott brand OF trometamol	HMDB
Tris-MG(II)-KCL buffer	HMDB
Trisamine	HMDB
Trometamol abbott brand	HMDB
Tri(hydroxymethyl)aminomethane	HMDB
Tris-magnesium(II)-potassium chloride buffer	HMDB
Tromethamine	ChEBI

Chemical Formula

C₄H₁₁NO₃

Average Molecular Weight

121.135

Monoisotopic Molecular Weight

121.073893223

IUPAC Name

2-amino-2-(hydroxymethyl)propane-1,3-diol

Traditional Name

tris buffer

CAS Registry Number

77-86-1

SMILES

NC(CO)(CO)CO

InChI Identifier

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2

InChI Key

LENZDBCJOHFCAS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

1,2-aminoalcohols

Alternative Parents

Substituents

1,2-aminoalcohol
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary alcohol
Organooxygen compound
Primary aliphatic amine
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

primary amino compound (CHEBI:9754 )
triol (CHEBI:9754 )
a small molecule (TRIS )

Ontology

Not Available

Placenta (HMDB: HMDB0240288)

Source

Exogenous

Exogenous (HMDB: HMDB0240288)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.1	ALOGPS
logP	-2.7	ChemAxon
logS	0.76	ALOGPS
pKa (Strongest Acidic)	14.16	ChemAxon
pKa (Strongest Basic)	8.95	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	86.71 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	28.36 m³·mol⁻¹	ChemAxon
Polarizability	12.02 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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]+	124.628	31661259
DarkChem	[M-H]-	118.684	31661259
DeepCCS	[M+H]+	129.055	30932474
DeepCCS	[M-H]-	127.053	30932474
DeepCCS	[M-2H]-	162.708	30932474
DeepCCS	[M+Na]+	137.357	30932474
AllCCS	[M+H]+	128.0	32859911
AllCCS	[M+H-H2O]+	123.9	32859911
AllCCS	[M+NH4]+	131.9	32859911
AllCCS	[M+Na]+	133.0	32859911
AllCCS	[M-H]-	120.4	32859911
AllCCS	[M+Na-2H]-	123.7	32859911
AllCCS	[M+HCOO]-	127.3	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.	0.93 minutes	32390414
Predicted by Siyang on May 30, 2022	9.1246 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.15 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	433.3 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	328.0 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	32.9 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	210.9 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	96.7 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	292.4 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	223.3 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	948.2 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	570.6 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	40.4 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	675.0 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	211.0 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	327.0 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	824.2 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	598.9 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	372.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tromethamine	NC(CO)(CO)CO	2405.8	Standard polar	33892256
Tromethamine	NC(CO)(CO)CO	1645.8	Standard non polar	33892256
Tromethamine	NC(CO)(CO)CO	1328.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tromethamine,1TMS,isomer #1	C[Si](C)(C)OCC(N)(CO)CO	1376.4	Semi standard non polar	33892256
Tromethamine,1TMS,isomer #2	C[Si](C)(C)NC(CO)(CO)CO	1425.6	Semi standard non polar	33892256
Tromethamine,2TMS,isomer #1	C[Si](C)(C)OCC(N)(CO)CO[Si](C)(C)C	1440.7	Semi standard non polar	33892256
Tromethamine,2TMS,isomer #2	C[Si](C)(C)NC(CO)(CO)CO[Si](C)(C)C	1525.5	Semi standard non polar	33892256
Tromethamine,2TMS,isomer #3	C[Si](C)(C)N(C(CO)(CO)CO)[Si](C)(C)C	1606.1	Semi standard non polar	33892256
Tromethamine,3TMS,isomer #1	C[Si](C)(C)OCC(N)(CO[Si](C)(C)C)CO[Si](C)(C)C	1402.2	Semi standard non polar	33892256
Tromethamine,3TMS,isomer #2	C[Si](C)(C)NC(CO)(CO[Si](C)(C)C)CO[Si](C)(C)C	1513.9	Semi standard non polar	33892256
Tromethamine,3TMS,isomer #3	C[Si](C)(C)OCC(CO)(CO)N([Si](C)(C)C)[Si](C)(C)C	1645.3	Semi standard non polar	33892256
Tromethamine,4TMS,isomer #1	C[Si](C)(C)NC(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C	1501.8	Semi standard non polar	33892256
Tromethamine,4TMS,isomer #1	C[Si](C)(C)NC(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C	1637.7	Standard non polar	33892256
Tromethamine,4TMS,isomer #1	C[Si](C)(C)NC(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C	1454.6	Standard polar	33892256
Tromethamine,4TMS,isomer #2	C[Si](C)(C)OCC(CO)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1663.5	Semi standard non polar	33892256
Tromethamine,4TMS,isomer #2	C[Si](C)(C)OCC(CO)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1699.8	Standard non polar	33892256
Tromethamine,4TMS,isomer #2	C[Si](C)(C)OCC(CO)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1609.2	Standard polar	33892256
Tromethamine,5TMS,isomer #1	C[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1733.5	Semi standard non polar	33892256
Tromethamine,5TMS,isomer #1	C[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1756.3	Standard non polar	33892256
Tromethamine,5TMS,isomer #1	C[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1523.7	Standard polar	33892256
Tromethamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(N)(CO)CO	1595.8	Semi standard non polar	33892256
Tromethamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CO)(CO)CO	1652.2	Semi standard non polar	33892256
Tromethamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(N)(CO)CO[Si](C)(C)C(C)(C)C	1875.7	Semi standard non polar	33892256
Tromethamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CO)(CO)CO[Si](C)(C)C(C)(C)C	1959.2	Semi standard non polar	33892256
Tromethamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(CO)(CO)CO)[Si](C)(C)C(C)(C)C	2011.6	Semi standard non polar	33892256
Tromethamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(N)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	2094.5	Semi standard non polar	33892256
Tromethamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CO)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	2158.9	Semi standard non polar	33892256
Tromethamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(CO)(CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2275.0	Semi standard non polar	33892256
Tromethamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	2358.9	Semi standard non polar	33892256
Tromethamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	2350.6	Standard non polar	33892256
Tromethamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	2015.3	Standard polar	33892256
Tromethamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(CO)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2518.2	Semi standard non polar	33892256
Tromethamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(CO)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2450.9	Standard non polar	33892256
Tromethamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(CO)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2068.9	Standard polar	33892256
Tromethamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2751.2	Semi standard non polar	33892256
Tromethamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2647.2	Standard non polar	33892256
Tromethamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2122.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Tromethamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tromethamine LC-ESI-QQ , positive-QTOF	splash10-00di-0900000000-53da6b0f35ab1e8e8a57	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tromethamine LC-ESI-QQ , positive-QTOF	splash10-0pi0-7900000000-244b89c0e2e656701b1d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tromethamine LC-ESI-QQ , positive-QTOF	splash10-0a4i-9000000000-a468801012da982d3bac	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tromethamine LC-ESI-QQ , positive-QTOF	splash10-0a4i-9000000000-eb66f99d48d2027e0fb2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tromethamine LC-ESI-QQ , positive-QTOF	splash10-0a4i-9000000000-2983a91b4350760fab44	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 10V, Positive-QTOF	splash10-0fk9-0900000000-c64bd0d2f6c5608c09e5	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 20V, Positive-QTOF	splash10-0uk9-6900000000-44de8033a7a056dc24ee	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 40V, Positive-QTOF	splash10-0fe0-9300000000-a8ccfe370848b7e108ad	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 10V, Negative-QTOF	splash10-00di-0900000000-df38f1b52446e14dbd93	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 20V, Negative-QTOF	splash10-0fk9-3900000000-4d2e293d7b424b491edf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 40V, Negative-QTOF	splash10-0fk9-9300000000-b0a81d028f53b619ac9f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 10V, Negative-QTOF	splash10-00di-2900000000-a5c253b5e28f2b4187fe	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 20V, Negative-QTOF	splash10-0fk9-3900000000-019fc9fc6efec99b1ef4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 40V, Negative-QTOF	splash10-0ap0-9200000000-b1438fba7875ed5e9454	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 10V, Positive-QTOF	splash10-0fk9-2900000000-f2b1659d84f26e689805	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 20V, Positive-QTOF	splash10-00di-9000000000-4e0879a500a3f361f360	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tromethamine 40V, Positive-QTOF	splash10-00di-9000000000-721b3b24e79a0cca569c	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Placenta

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB03754

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

6257

KEGG Compound ID

C07182

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tris

METLIN ID

Not Available

PubChem Compound

6503

PDB ID

Not Available

ChEBI ID

9754

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1295381

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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 ]

Showing metabocard for Tromethamine (HMDB0240288)

MOL for HMDB0240288 (Tromethamine)

3D MOL for HMDB0240288 (Tromethamine)

3D SDF for HMDB0240288 (Tromethamine)

3D-SDF for HMDB0240288 (Tromethamine)

PDB for HMDB0240288 (Tromethamine)

3D PDB for HMDB0240288 (Tromethamine)

SMILES for HMDB0240288 (Tromethamine)

INCHI for HMDB0240288 (Tromethamine)

Structure for HMDB0240288 (Tromethamine)

3D Structure for HMDB0240288 (Tromethamine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra