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

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4-methylsulfanyl-2-oxobutanoate

	Properties	Image
MNX_ID	MNXM276
reference	chebi:16723
formula	C₅H₇O₃S
global charge	-1
mol weight	147.175
InChIKey	SXFSQZDSUWACKX-UHFFFAOYSA-M
InChI	InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1
SMILES	CSCCC(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
SMILES (mnx)	[CH3:1][S:9][CH2:3][CH2:2][C:4]([C:5]([OH:7])=[O:8])=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	56
in models (compartimentalized)	26

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-1237122 reactomeM:R-ALL-1237122 CHEBI:16723 chebi:16723 SXFSQZDSUWACKX-UHFFFAOYSA-M	4-methylsulfanyl-2-oxobutanoate 2-oxo-4-methylthiobutanoate 4-(methylsulfanyl)-2-oxobutanoate 4-methylthio-2-oxobutanoate
hmdb:HMDB0001553 SXFSQZDSUWACKX-UHFFFAOYSA-N	2-Oxo-4-methylthiobutanoic acid 2-Keto-4-methylthiobutanoic acid 2-Keto-4-methylthiobutyrate 2-Keto-4-methylthiobutyric acid 2-Keto-4-methylthiobutyric acid, calcium salt 2-Keto-4-methylthiobutyric acid, monosodium salt 2-Keto-4-thiomethylbutyrate 2-Ketomethiobutyrate 2-Ketothiomethylbutyric acid 2-Oxomethionine 2-oxo-4-Methylthiobutanoate 2-oxo-4-Methylthiobutanoic acid 2-oxo-4-Thiomethylbutyric acid 2-oxo-4-thiomethylbutyric acid 4-(METHYLsulfanyl)-2-oxobutanoIC ACID 4-(METHYLsulphanyl)-2-oxobutanoate 4-(METHYLsulphanyl)-2-oxobutanoic acid 4-(Methylsulfanyl)-2-oxobutanoate 4-(methylsulfanyl)-2-oxobutanoic acid 4-Methylmercapto-2-oxobutyrate 4-Methylthio-2-ketobutanoate 4-Methylthio-2-ketobutanoic acid 4-Methylthio-2-ketobutyrate 4-Methylthio-2-ketobutyric acid 4-Methylthio-2-oxobutanoate 4-Methylthio-2-oxobutanoic acid 4-Methylthio-2-oxobutyrate 4-Methylthio-2-oxobutyric acid KMTB Keto-4-methylthiobutyrate Ketomethiobutyrate Ketomethiobutyric acid Methylthiobutyrate Methylthiobutyric acid S-Methyl-alpha-ketobutyric acid a-oxo-g-Methylthiobutyrate a-oxo-g-Methylthiobutyric acid alpha-Keto-gamma-methiolbutyrate alpha-Keto-methiolbutyric acid alpha-Ketomethionine alpha-Oxomethionine alpha-oxo-gamma-Methylthiobutyrate alpha-oxo-gamma-Methylthiobutyric acid alpha-oxo-gamma-methylthiobutyrate alpha-oxo-gamma-methylthiobutyric acid gamma-Methiol-keto-butyric acid
bigg.metabolite:2kmb biggM:2kmb SXFSQZDSUWACKX-UHFFFAOYSA-M	2-keto-4-methylthiobutyrate
vmhM:2kmb vmhmetabolite:2kmb SXFSQZDSUWACKX-UHFFFAOYSA-M	2-keto-4-methylthiobutyrate 4-(methylsulfanyl)-2-oxobutanoic acid
lipidmaps:LMFA01060170 lipidmapsM:LMFA01060170 SXFSQZDSUWACKX-UHFFFAOYSA-N	2-oxo-4-methylthio-butanoic acid 2-oxo-4-methylthio-butanoic acid 4-Methylthio-2-oxobutanoic acid
metacyc.compound:CPD-479 metacycM:CPD-479 SXFSQZDSUWACKX-UHFFFAOYSA-M	4-(methylsulfanyl)-2-oxobutanoate 2-keto-4-methylthiobutanoate 2-keto-4-methylthiobutyrate 2-keto-4-methylthiobutyric acid 2-keto-methyl-thio-butyrate 2-ketomethiobutyrate 2-oxo-4-methylthiobutanoic acid 2-oxomethionine 4-(methylthio)-2-oxobutanoate 4-methylthio-2-ketobutanoate 4-methylthio-2-ketobutyrate 4-methylthio-2-oxobutanoate 4-methylthio-2-oxobutyrate KMTB alpha-keto-4-methylthiobutyrate alpha-keto-gamma-methylthiobutyrate alpha-keto-gamma-methylthiobutyric acid alpha-ketomethiobutyrate alpha-ketomethiobutyric acid ketomethiobutyrate
bigg.metabolite:4mtob biggM:4mtob SXFSQZDSUWACKX-UHFFFAOYSA-M	4-Methyl-Thio-Oxo-Butyrate
bigg.metabolite:4met2obut biggM:4met2obut	4-Methylthio-2-oxobutanoate
sabiork.compound:5424 sabiorkM:5424 SXFSQZDSUWACKX-UHFFFAOYSA-N	4-Methylthio-2-oxobutanoate 4-Methylthio-2-oxobutanoic acid 4-Methylthio-2-oxobutyrate
kegg.compound:C01180 keggC:C01180 SXFSQZDSUWACKX-UHFFFAOYSA-N	4-Methylthio-2-oxobutanoic acid 2-Keto-4-methylthiobutyric acid 2-Oxo-4-methylthiobutanoate 2-Oxo-4-methylthiobutanoic acid 4-(Methylsulfanyl)-2-oxobutanoate 4-Methylthio-2-oxobutanoate
vmhM:4mtob vmhmetabolite:4mtob SXFSQZDSUWACKX-UHFFFAOYSA-M	4-methyl-thio-oxo-butyrate
seed.compound:cpd00869 seedM:cpd00869 SXFSQZDSUWACKX-UHFFFAOYSA-M	4-methylthio 2-oxobutyrate 2-Keto-4-methylthiobutyric acid 2-Oxo-4-methylthiobutanoate 2-Oxo-4-methylthiobutanoic acid 2-keto-4-methylthiobutanoate 2-keto-4-methylthiobutyrate 2-keto-4-methylthiobutyric acid 2-keto-methyl-thio-butyrate 2-ketomethiobutyrate 2-oxo-4-methylthiobutanoate 2-oxo-4-methylthiobutanoic acid 2-oxomethionine 2kmb 4-(methylsulfanyl)-2-oxobutanoate 4-(methylthio)-2-oxobutanoate 4-Methylthio-2-oxobutanoate 4-Methylthio-2-oxobutanoic acid 4-methylthio-2-ketobutanoate 4-methylthio-2-ketobutyrate 4-methylthio-2-oxobutanoate 4-methylthio-2-oxobutyrate KMTB alpha-keto-4-methylthiobutyrate alpha-keto-gamma-methylthiobutyrate alpha-keto-gamma-methylthiobutyric acid alpha-ketomethiobutyrate alpha-ketomethiobutyric acid
CHEBI:33574 chebi:33574 SXFSQZDSUWACKX-UHFFFAOYSA-N	4-methylthio-2-oxobutanoic acid 2-Keto-4-methylthiobutyric acid 2-Oxo-4-methylthiobutanoate 2-keto-4-methylthiobutyric acid 2-oxomethionine 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID 4-(methylsulfanyl)-2-oxobutanoic acid 4-Methylthio-2-oxobutanoate 4-Methylthio-2-oxobutanoic acid alpha-oxo-gamma-methylthiobutyric acid
envipath:...96f2ff9362e2 envipathM:...96f2ff9362e2 SXFSQZDSUWACKX-UHFFFAOYSA-M	compound 0062163
hmdb:HMDB0013210 hmdb:HMDB01553 hmdb:HMDB13210 chebi:12029 chebi:1902 chebi:20451 chebi:22458 chebi:43720 chebi:63388 biggM:M_2kmb biggM:M_4met2obut biggM:M_4mtob keggC:M_C01180 seedM:M_cpd00869 vmhM:M_2kmb vmhM:M_4mtob	secondary/obsolete/fantasy identifier