RefMet Compound Details

RefMet ID	RM0118177
MW structure	37755 (View MW Metabolite Database details)
RefMet name	3-Mercaptopyruvic acid
Systematic name	2-oxo-3-sulfanylpropanoic acid
SMILES	C(C(=O)C(=O)O)S   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	119.988117 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C3H4O3S	View other entries in RefMet with this formula
InChI	InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)
InChIKey	OJOLFAIGOXZBCI-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Keto acids
Sub Class	Alpha-keto acids
Pubchem CID	98
ChEBI ID	16208
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

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

Rxn ID	KEGG Reaction	Enzyme
R00895	L-Cysteine + 2-Oxoglutarate <=> Mercaptopyruvate + L-Glutamate	L-Cysteine:2-oxoglutarate aminotransferase
R00896	L-Cysteine + 2-Oxoglutarate <=> Mercaptopyruvate + Glutamate	L-cysteine:2-oxoglutarate aminotransferase
R03104	3-Mercaptolactate + NAD+ <=> Mercaptopyruvate + NADH + H+	3-Mercaptolactate:NAD+ oxidoreductase
R03105	Mercaptopyruvate + Thioredoxin <=> Hydrogen sulfide + Pyruvate + Thioredoxin disulfide	3-mercaptopyruvate:sulfide sulfurtransferase

Table of KEGG human pathways containing 3-Mercaptopyruvic acid

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