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

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2-Oxo-10-methylthiodecanoic acid

	Properties	Image
MNX_ID	MNXM5486
reference	chebi:80977
formula	C₁₁H₂₀O₃S
global charge	0
mol weight	232.345
InChIKey	IEZWLIJBCDCGEU-UHFFFAOYSA-N
InChI	InChI=1S/C11H20O3S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h2-9H2,1H3,(H,13,14)
SMILES	CSCCCCCCCCC(=O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C11H20O3S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h2-9H2,1H3,(H,13,14)
SMILES (mnx)	[CH3:1][S:15][CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][C:10]([C:11]([OH:13])=[O:14])=[O:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80977 chebi:80977 kegg.compound:C17232 keggC:C17232 IEZWLIJBCDCGEU-UHFFFAOYSA-N	2-Oxo-10-methylthiodecanoic acid 10-Methylthio-2-decanoic acid
metacyc.compound:CPDQT-41 metacycM:CPDQT-41 IEZWLIJBCDCGEU-UHFFFAOYSA-M	10-(methylsulfanyl)-2-oxodecanoate 10-(methylthio)-2-oxo-decanoic acid 10-(methylthio)-2-oxodecanoate
seed.compound:cpd17422 seedM:cpd17422 IEZWLIJBCDCGEU-UHFFFAOYSA-M	10-Methylthio-2-decanoic acid 10-(methylsulfanyl)-2-oxodecanoate 10-(methylthio)-2-oxo-decanoic acid 10-(methylthio)-2-oxodecanoate 2-Oxo-10-methylthiodecanoic acid 2-oxo-10-methylthiodecanoate 2-oxo-10-methylthiodecanoic acid
vmhM:omthtdcnt vmhmetabolite:omthtdcnt IEZWLIJBCDCGEU-UHFFFAOYSA-N	2-Oxo-10-methylthiodecanoic acid
keggC:M_C17232 seedM:M_cpd17422 vmhM:M_omthtdcnt	secondary/obsolete/fantasy identifier