MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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2-oxo-3-sulfanylpropanoate

	Properties	Image
MNX_ID	MNXM1214
reference	chebi:57678
formula	C₃H₃O₃S
global charge	-1
mol weight	119.121
InChIKey	OJOLFAIGOXZBCI-UHFFFAOYSA-M
InChI	InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)/p-1
SMILES	O=C([O-])C(=O)CS

MNX internals

InChI (mnx)	InChI=1/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)
SMILES (mnx)	[CH2:1]([C:2]([C:3]([OH:5])=[O:6])=[O:4])[SH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	29
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57678 chebi:57678 OJOLFAIGOXZBCI-UHFFFAOYSA-M	2-oxo-3-sulfanylpropanoate 3-mercaptopyruvate
metacyc.compound:3-MERCAPTO-PYRUVATE metacycM:3-MERCAPTO-PYRUVATE OJOLFAIGOXZBCI-UHFFFAOYSA-M	2-oxo-3-sulfanylpropanoate 3-mercaptopyruvate 3-mercaptopyruvic acid beta-mercaptopyruvate beta-thiopyruvate mercaptopyruvate
sabiork.compound:2196 sabiorkM:2196 OJOLFAIGOXZBCI-UHFFFAOYSA-N	3-Mercaptopyruvate Mercaptopyruvate
hmdb:HMDB0001368 OJOLFAIGOXZBCI-UHFFFAOYSA-N	3-Mercaptopyruvic acid 2-oxo-3-sulfanylpropanoic acid 3-Mercapto-2-oxopropanoate 3-Mercapto-2-oxopropanoic acid 3-Mercapto-pyruvate 3-Mercapto-pyruvic acid 3-Mercaptopyruvate 3-Mercaptopyruvate monosodium salt Mercaptopyruvate Mercaptopyruvic acid Thiopyruvate beta-3-Mercapto-2-oxo-propanoate beta-3-Mercapto-2-oxo-propanoic acid beta-Mercaptopyruvate beta-Mercaptopyruvic acid beta-Thiopyruvate beta-Thiopyruvic acid beta-mercaptopyruvic acid
vmhM:mercppyr vmhmetabolite:mercppyr OJOLFAIGOXZBCI-UHFFFAOYSA-M	3-mercaptopyruvate 2-oxo-3-sulfanylpropanoic acid
reactome:R-ALL-9012592 reactomeM:R-ALL-9012592 CHEBI:16208 chebi:16208 OJOLFAIGOXZBCI-UHFFFAOYSA-N	3-mercaptopyruvic acid 2-oxo-3-sulfanylpropanoic acid 3-Mercaptopyruvate 3-Mercaptopyruvic acid 3-mercapto-2-oxopropanoic acid Mercaptopyruvate
bigg.metabolite:mercppyr biggM:mercppyr OJOLFAIGOXZBCI-UHFFFAOYSA-M	Mercaptopyruvate
kegg.compound:C00957 keggC:C00957 OJOLFAIGOXZBCI-UHFFFAOYSA-N	Mercaptopyruvate 2-Oxo-3-sulfanylpropanoate 3-Mercaptopyruvate 3-Mercaptopyruvic acid
seed.compound:cpd00706 seedM:cpd00706 OJOLFAIGOXZBCI-UHFFFAOYSA-M	Mercaptopyruvate 2-oxo-3-sulfanylpropanoate 3-Mercaptopyruvate 3-Mercaptopyruvic acid 3-mercaptopyruvate 3-mercaptopyruvic acid beta-mercaptopyruvate beta-thiopyruvate mercaptopyruvate mercppyr
envipath:...bf34bbb99022 envipathM:...bf34bbb99022 OJOLFAIGOXZBCI-UHFFFAOYSA-M	compound 0039592
hmdb:HMDB01368 chebi:11847 chebi:14583 chebi:20103 chebi:20104 chebi:6767 biggM:M_mercppyr keggC:M_C00957 seedM:M_cpd00706 vmhM:M_mercppyr	secondary/obsolete/fantasy identifier