RefMet Compound Details

MW structure37755 (View MW Metabolite Database details)
RefMet name3-Mercaptopyruvic acid
Systematic name2-oxo-3-sulfanylpropanoic acid
SMILESC(C(=O)C(=O)O)S   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass119.988117 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC3H4O3SView other entries in RefMet with this formula
InChIInChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)
InChIKeyOJOLFAIGOXZBCI-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassKeto acids
Sub ClassAlpha-keto acids
Pubchem CID98
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3-Mercaptopyruvic acid

Rxn IDKEGG ReactionEnzyme
R00895 L-Cysteine + 2-Oxoglutarate <=> Mercaptopyruvate + L-GlutamateL-Cysteine:2-oxoglutarate aminotransferase
R00896 L-Cysteine + 2-Oxoglutarate <=> Mercaptopyruvate + GlutamateL-cysteine:2-oxoglutarate aminotransferase
R03104 3-Mercaptolactate + NAD+ <=> Mercaptopyruvate + NADH + H+3-Mercaptolactate:NAD+ oxidoreductase
R03105 Mercaptopyruvate + Thioredoxin <=> Hydrogen sulfide + Pyruvate + Thioredoxin disulfide3-mercaptopyruvate:sulfide sulfurtransferase

Table of KEGG human pathways containing 3-Mercaptopyruvic acid

Pathway IDHuman Pathway# of reactions
hsa00270 Cysteine and methionine metabolism 3
hsa01100 Metabolic pathways 1
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