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2-Oxo-8-methylthiooctanoic acid

PropertiesImage
MNX_IDMNXM3821 Image of MNXM3821
referencechebi:80971
formulaC9H16O3S
global charge0
mol weight204.291
InChIKeyQDZNKMGEHAHOTA-UHFFFAOYSA-N
InChIInChI=1S/C9H16O3S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h2-7H2,1H3,(H,11,12)
SMILESCSCCCCCCC(=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C9H16O3S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h2-7H2,1H3,(H,11,12) Image of MNXM3821
SMILES (mnx)[CH3:1][S:13][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][C:8]([C:9]([OH:11])=[O:12])=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80971
chebi:80971
kegg.compound:C17224
keggC:C17224
QDZNKMGEHAHOTA-UHFFFAOYSA-N 		2-Oxo-8-methylthiooctanoic acid
8-Methylthio-2-octanoic acid

metacyc.compound:CPDQT-29
metacycM:CPDQT-29
QDZNKMGEHAHOTA-UHFFFAOYSA-M 		8-(methylsulfanyl)-2-oxooctanoate
8-(methylthio)-2-oxooctanoate
8-(methylthio)-2-oxooctanoic acid

vmhM:8mthocnt
vmhmetabolite:8mthocnt
QDZNKMGEHAHOTA-UHFFFAOYSA-N 		8-Methylthio-2-octanoic acid

seed.compound:cpd17414
seedM:cpd17414
QDZNKMGEHAHOTA-UHFFFAOYSA-M 		8-Methylthio-2-octanoic acid
2-Oxo-8-methylthiooctanoic acid
2-oxo-8-methylthiooctanoate
2-oxo-8-methylthiooctanoic acid
8-(methylsulfanyl)-2-oxooctanoate
8-(methylthio)-2-oxooctanoate
8-(methylthio)-2-oxooctanoic acid

keggC:M_C17224
seedM:M_cpd17414
vmhM:M_8mthocnt 		secondary/obsolete/fantasy identifier