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

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3-(methylsulfanyl)propanoate

	Properties	Image
MNX_ID	MNXM727957
reference	chebi:49016
formula	C₄H₇O₂S
global charge	-1
mol weight	119.165
InChIKey	CAOMCZAIALVUPA-UHFFFAOYSA-M
InChI	InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
SMILES	CSCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
SMILES (mnx)	[CH3:1][S:7][CH2:3][CH2:2][C:4](=[O:5])[OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49016 chebi:49016 CAOMCZAIALVUPA-UHFFFAOYSA-M	3-(methylsulfanyl)propanoate 3-(methylthio)propionate 3-methylthiopropanoate
kegg.compound:C08276 keggC:C08276 CAOMCZAIALVUPA-UHFFFAOYSA-N	3-(Methylthio)propanoate 3-(Methylsulfanyl)propanoate 3-(Methylthio)propionic acid 3-Methylthiopropanoic acid 3-Methylthiopropionate
metacyc.compound:CPD-7672 metacycM:CPD-7672 CAOMCZAIALVUPA-UHFFFAOYSA-M	3-(methylsulfanyl)propanoate 3-(methylthio)propanoate 3-S-methylmercaptopropionate 3-S-methylthiopropionate 3-methylthiopropionate 3-methylthiopropionic acid MMPA methyl-3-mercaptopropionate methyl-beta-mercaptopropionate methylmercaptopropionate
bigg.metabolite:C08276 biggM:C08276 CAOMCZAIALVUPA-UHFFFAOYSA-N	3-(methylthio)propionate
vmhM:C08276 vmhmetabolite:C08276 CAOMCZAIALVUPA-UHFFFAOYSA-M	3-(methylthio)propionate 3-(methylsulfanyl)propanoic acid
CHEBI:1438 chebi:1438 CAOMCZAIALVUPA-UHFFFAOYSA-N	3-(methylthio)propionic acid 3-(Methylthio)propionic acid 3-(methylsulfanyl)propanoic acid 3-methylthiopropanoic acid
seed.compound:cpd05191 seedM:cpd05191 CAOMCZAIALVUPA-UHFFFAOYSA-M	3-Methylthiopropionate 3-(Methylthio)propionic acid 3-(methylsulfanyl)propanoate 3-(methylthio)propanoate 3-S-methylmercaptopropionate 3-S-methylthiopropionate 3-methylthiopropionate 3-methylthiopropionic acid 3mtp MMPA methyl-3-mercaptopropionate methyl-beta-mercaptopropionate methylmercaptopropionate
hmdb:HMDB0001527 CAOMCZAIALVUPA-UHFFFAOYSA-N	3-Methylthiopropionic acid 3-(Methylsulfanyl)propanoate 3-(Methylsulfanyl)propanoic acid 3-(Methylsulphanyl)propanoate 3-(Methylsulphanyl)propanoic acid 3-(Methylthio)propionate 3-(Methylthio)propionic acid 3-(methylsulfanyl)propanoic acid 3-Methyl-thiopropionate 3-Methylmercaptopropionate 3-Methylthiopropanoate 3-Methylthiopropanoic acid 3-Methylthiopropionate 3-Methylthiopropionate sodium salt 3-methylthiopropionic acid 4-Thiapentanoate 4-Thiapentanoic acid
vmhM:M00684 vmhmetabolite:M00684 CAOMCZAIALVUPA-UHFFFAOYSA-M	3-Methylthiopropionic acid 3-(methylsulfanyl)propanoic acid
hmdb:HMDB0304155 CAOMCZAIALVUPA-UHFFFAOYSA-M	3-S-methylmercaptopropionate 3-(Methylsulfanyl)propanoate 3-(Methylsulfanyl)propanoic acid 3-(Methylsulphanyl)propanoate 3-(Methylsulphanyl)propanoic acid 3-(Methylthio)propionic acid 3-(methylsulfanyl)propanoate 3-(methylthio)Propanoate 3-(methylthio)Propanoic acid 3-Methylmercaptopropionate 3-Methylthiopropanoate 3-Methylthiopropanoic acid 3-Methylthiopropionate 3-Methylthiopropionate sodium salt 3-Methylthiopropionic acid 3-S-Methylmercaptopropionic acid 3-mercapto-2-Methylpropionate 3-mercapto-2-Methylpropionic acid 3-mercapto-2-Methylpropionic acid, monocalcium salt 3-mercapto-2-Methylpropionic acid, monopotassium salt 3-mercapto-2-Methylpropionic acid, monosodium salt 3-methylthiopropionate MMPA
lipidmaps:LMFA01130006 lipidmapsM:LMFA01130006 CAOMCZAIALVUPA-UHFFFAOYSA-N	3-methyl-thiopropionic acid 3-(methyl-sulfanyl)-propanoic acid
envipath:...52fe9c2698dc envipathM:...52fe9c2698dc CAOMCZAIALVUPA-UHFFFAOYSA-M	compound 0062175
hmdb:HMDB01527 biggM:M_C08276 keggC:M_C08276 seedM:M_cpd05191 vmhM:M_C08276 vmhM:M_M00684	secondary/obsolete/fantasy identifier