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Showing metabocard for 3-Mercaptolactic acid (HMDB0002127)

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enzymes (5) Show 5 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:37 UTC
Update Date2023-02-21 17:16:11 UTC
HMDB IDHMDB0002127
Secondary Accession Numbers
  • HMDB02127
Metabolite Identification
Common Name3-Mercaptolactic acid
Description3-Mercaptolactic acid, also known as 3-mercaptolactate, belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. In humans, 3-mercaptolactic acid is involved in the cysteine metabolism pathway. 3-Mercaptolactic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 3-mercaptolactic acid a potential biomarker for the consumption of these foods. 3-Mercaptolactic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on 3-Mercaptolactic acid.
Structure
Data?1676999771
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0002127 (3-Mercaptolactic acid)

Phosphatidylinositol phosphate.mol
  Mrv0541 02231219222D          

  7  6  0  0  0  0            999 V2000
    0.2062    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -1.0717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
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3D MOL for HMDB0002127 (3-Mercaptolactic acid)

HMDB0002127
     RDKit          3D
3-Mercaptolactic acid
 13 12  0  0  0  0  0  0  0  0999 V2000
   -0.8537    1.0659    1.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119    0.4352    0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    0.8897   -0.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -0.7641    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -1.2883   -0.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -0.4919    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932    0.6923   -0.9734 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8109    1.7116   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4122   -1.5678    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287   -1.1016   -1.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934   -1.4657    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022   -0.1257    1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439    2.0103   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
  7 13  1  0
M  END
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3D SDF for HMDB0002127 (3-Mercaptolactic acid)

Phosphatidylinositol phosphate.mol
  Mrv0541 02231219222D          

  7  6  0  0  0  0            999 V2000
    0.2062    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -1.0717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002127

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(CS)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)

> <INCHI_KEY>
OLQOVQTWRIJPRE-UHFFFAOYSA-N

> <FORMULA>
C3H6O3S

> <MOLECULAR_WEIGHT>
122.143

> <EXACT_MASS>
122.003764748

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
10.980790086499548

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-hydroxy-3-sulfanylpropanoic acid

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-0.4232775486666668

> <ALOGPS_LOGS>
-0.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.947769852378148

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.733118497709343

> <JCHEM_PKA_STRONGEST_BASIC>
-3.921683525194795

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
26.566100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.88e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-mercaptolactic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0002127 (3-Mercaptolactic acid)

HMDB0002127
     RDKit          3D
3-Mercaptolactic acid
 13 12  0  0  0  0  0  0  0  0999 V2000
   -0.8537    1.0659    1.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119    0.4352    0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    0.8897   -0.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -0.7641    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -1.2883   -0.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -0.4919    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932    0.6923   -0.9734 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8109    1.7116   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4122   -1.5678    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287   -1.1016   -1.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934   -1.4657    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022   -0.1257    1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439    2.0103   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
  7 13  1  0
M  END
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PDB for HMDB0002127 (3-Mercaptolactic acid)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Phosphatidylinositol phosphate.mol                
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       0.385   0.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.385  -0.667   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.925  -0.667   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.385  -2.001   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.385   2.001   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       1.925   0.667   0.000  0.00  0.00           O+0
HETATM    7  S   UNK     0       1.925  -2.001   0.000  0.00  0.00           S+0
CONECT    1    2    5    6                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    7                                                       
CONECT    5    1                                                            
CONECT    6    1                                                            
CONECT    7    4                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   12    0
END
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3D PDB for HMDB0002127 (3-Mercaptolactic acid)

COMPND    HMDB0002127
HETATM    1  O1  UNL     1      -0.854   1.066   1.589  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.012   0.435   0.512  1.00  0.00           C  
HETATM    3  O2  UNL     1      -1.941   0.890  -0.390  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.200  -0.764   0.256  1.00  0.00           C  
HETATM    5  O3  UNL     1      -0.555  -1.288  -0.999  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.281  -0.492   0.258  1.00  0.00           C  
HETATM    7  S1  UNL     1       1.793   0.692  -0.973  1.00  0.00           S  
HETATM    8  H1  UNL     1      -1.811   1.712  -0.984  1.00  0.00           H  
HETATM    9  H2  UNL     1      -0.412  -1.568   0.988  1.00  0.00           H  
HETATM   10  H3  UNL     1      -1.529  -1.102  -1.102  1.00  0.00           H  
HETATM   11  H4  UNL     1       1.793  -1.466   0.098  1.00  0.00           H  
HETATM   12  H5  UNL     1       1.602  -0.126   1.256  1.00  0.00           H  
HETATM   13  H6  UNL     1       1.844   2.010  -0.508  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3    8
CONECT    4    5    6    9
CONECT    5   10
CONECT    6    7   11   12
CONECT    7   13
END
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SMILES for HMDB0002127 (3-Mercaptolactic acid)

OC(CS)C(O)=O
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INCHI for HMDB0002127 (3-Mercaptolactic acid)

InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
3-MercaptolactateGenerator
b-MercaptolactateHMDB
b-Mercaptolactic acidHMDB
beta-MercaptolactateHMDB, MeSH
beta-Mercaptolactic acidHMDB
2-Hydroxy-3-mercaptopropionic acidMeSH, HMDB
Chemical FormulaC3H6O3S
Average Molecular Weight122.143
Monoisotopic Molecular Weight122.003764748
IUPAC Name2-hydroxy-3-sulfanylpropanoic acid
Traditional Nameβ-mercaptolactic acid
CAS Registry Number2614-83-7
SMILES
OC(CS)C(O)=O
InChI Identifier
InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)
InChI KeyOLQOVQTWRIJPRE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharides
Alternative Parents
Substituents
  • Monosaccharide
  • Hydroxy acid
  • Alpha-hydroxy acid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alkylthiol
  • Organic oxide
  • Hydrocarbon derivative
  • Organosulfur compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility28.8 g/LALOGPS
logP-0.33ALOGPS
logP-0.42ChemAxon
logS-0.63ALOGPS
pKa (Strongest Acidic)3.73ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity26.57 m³·mol⁻¹ChemAxon
Polarizability10.98 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+123.2931661259
DarkChem[M-H]-116.98631661259
DeepCCS[M+H]+136.3230932474
DeepCCS[M-H]-133.55830932474
DeepCCS[M-2H]-170.030932474
DeepCCS[M+Na]+144.67130932474
AllCCS[M+H]+130.332859911
AllCCS[M+H-H2O]+126.132859911
AllCCS[M+NH4]+134.132859911
AllCCS[M+Na]+135.332859911
AllCCS[M-H]-128.432859911
AllCCS[M+Na-2H]-132.332859911
AllCCS[M+HCOO]-136.732859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
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, 2022.1.72 minutes32390414
Predicted by Siyang on May 30, 202210.4152 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.37 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid188.2 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1523.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid396.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid73.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid265.3 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid97.6 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid313.9 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid403.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)656.6 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid681.6 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid75.5 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1028.4 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid258.8 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid283.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate746.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA307.1 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water330.7 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-Mercaptolactic acidOC(CS)C(O)=O2653.9Standard polar33892256
3-Mercaptolactic acidOC(CS)C(O)=O1194.2Standard non polar33892256
3-Mercaptolactic acidOC(CS)C(O)=O1219.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3-Mercaptolactic acid,1TMS,isomer #1C[Si](C)(C)OC(CS)C(=O)O1288.3Semi standard non polar33892256
3-Mercaptolactic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)C(O)CS1170.8Semi standard non polar33892256
3-Mercaptolactic acid,1TMS,isomer #3C[Si](C)(C)SCC(O)C(=O)O1330.4Semi standard non polar33892256
3-Mercaptolactic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C(CS)O[Si](C)(C)C1305.4Semi standard non polar33892256
3-Mercaptolactic acid,2TMS,isomer #2C[Si](C)(C)OC(CS[Si](C)(C)C)C(=O)O1450.0Semi standard non polar33892256
3-Mercaptolactic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C(O)CS[Si](C)(C)C1378.5Semi standard non polar33892256
3-Mercaptolactic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)O[Si](C)(C)C1493.1Semi standard non polar33892256
3-Mercaptolactic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)O[Si](C)(C)C1445.2Standard non polar33892256
3-Mercaptolactic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CS[Si](C)(C)C)O[Si](C)(C)C1456.2Standard polar33892256
3-Mercaptolactic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CS)C(=O)O1537.4Semi standard non polar33892256
3-Mercaptolactic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O)CS1423.1Semi standard non polar33892256
3-Mercaptolactic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)SCC(O)C(=O)O1565.2Semi standard non polar33892256
3-Mercaptolactic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS)O[Si](C)(C)C(C)(C)C1770.7Semi standard non polar33892256
3-Mercaptolactic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CS[Si](C)(C)C(C)(C)C)C(=O)O1888.0Semi standard non polar33892256
3-Mercaptolactic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)CS[Si](C)(C)C(C)(C)C1839.8Semi standard non polar33892256
3-Mercaptolactic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2127.8Semi standard non polar33892256
3-Mercaptolactic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2106.8Standard non polar33892256
3-Mercaptolactic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1914.7Standard polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified0.910-4.430 umol/mmol creatinineNot SpecifiedBothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified58.7 umol/mmol creatinineAdult (>18 years old)FemaleBeta-mercaptolactate-cysteine Disulfiduria details
Associated Disorders and Diseases
Disease References
Beta-mercaptolactate-cysteine Disulfiduria
  1. Hannestad U, Martensson J, Sjodahl R, Sorbo B: 3-mercaptolactate cysteine disulfiduria: biochemical studies on affected and unaffected members of a family. Biochem Med. 1981 Aug;26(1):106-14. [PubMed:6945862 ]
Associated OMIM IDs
  • 249650 (Beta-mercaptolactate-cysteine Disulfiduria)
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022856
KNApSAcK IDNot Available
Chemspider ID141158
KEGG Compound IDC05823
BioCyc IDNot Available
BiGG ID46576
Wikipedia LinkNot Available
METLIN ID6499
PubChem Compound160645
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDMERCPLAC
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceCosta, Mara; Pensa, Bernardo; Iavarone, Carlo; Cavallini, Doriano. Preparation of 3-mercaptolactic acid and S-aminoethylmercaptolactic acid. Preparative Biochemistry (1982), 12(5), 417-27.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Hannestad U, Sorbo B: Determination of 3-mercaptolactate, mercaptoacetate and N-acetylcysteine in urine by gas chromatography. Clin Chim Acta. 1979 Jul 16;95(2):189-200. [PubMed:527218 ]
  2. Wronski M: Separation of urinary thiols as tributyltinmercaptides and determination using capillary isotachophoresis. J Chromatogr B Biomed Appl. 1996 Feb 9;676(1):29-34. [PubMed:8852041 ]

Enzymes

Enzyme Details
1. L-lactate dehydrogenase A-like 6A
General function:
Involved in oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Specific function:
Displays an lactate dehydrogenase activity. Significantly increases the transcriptional activity of JUN, when overexpressed.
Gene Name:
LDHAL6A
Uniprot ID:
Q6ZMR3
Molecular weight:
36507.015
Reactions
3-Mercaptolactic acid + NAD → 3-Mercaptopyruvic acid + NADH + Hydrogen Iondetails
Enzyme Details
2. L-lactate dehydrogenase B chain
General function:
Involved in oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Specific function:
Not Available
Gene Name:
LDHB
Uniprot ID:
P07195
Molecular weight:
36638.225
Reactions
3-Mercaptolactic acid + NAD → 3-Mercaptopyruvic acid + NADH + Hydrogen Iondetails
Enzyme Details
3. L-lactate dehydrogenase C chain
General function:
Involved in oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Specific function:
Possible role in sperm motility.
Gene Name:
LDHC
Uniprot ID:
P07864
Molecular weight:
36310.965
Reactions
3-Mercaptolactic acid + NAD → 3-Mercaptopyruvic acid + NADH + Hydrogen Iondetails
Enzyme Details
4. L-lactate dehydrogenase A chain
General function:
Involved in oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Specific function:
Not Available
Gene Name:
LDHA
Uniprot ID:
P00338
Molecular weight:
30204.975
Reactions
3-Mercaptolactic acid + NAD → 3-Mercaptopyruvic acid + NADH + Hydrogen Iondetails
Enzyme Details
5. L-lactate dehydrogenase A-like 6B
General function:
Involved in oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Specific function:
Not Available
Gene Name:
LDHAL6B
Uniprot ID:
Q9BYZ2
Molecular weight:
41942.53
Reactions
3-Mercaptolactic acid + NAD → 3-Mercaptopyruvic acid + NADH + Hydrogen Iondetails