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2-Oxo-6-methylthiohexanoic acid

PropertiesImage
MNX_IDMNXM3819 Image of MNXM3819
referencechebi:80965
formulaC7H12O3S
global charge0
mol weight176.237
InChIKeyGRUGZHAOXOPASC-UHFFFAOYSA-N
InChIInChI=1S/C7H12O3S/c1-11-5-3-2-4-6(8)7(9)10/h2-5H2,1H3,(H,9,10)
SMILESCSCCCCC(=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H12O3S/c1-11-5-3-2-4-6(8)7(9)10/h2-5H2,1H3,(H,9,10) Image of MNXM3819
SMILES (mnx)[CH3:1][S:11][CH2:5][CH2:3][CH2:2][CH2:4][C:6]([C:7]([OH:9])=[O:10])=[O:8]
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:80965
chebi:80965
kegg.compound:C17216
keggC:C17216
GRUGZHAOXOPASC-UHFFFAOYSA-N
2-Oxo-6-methylthiohexanoic acid
6-(Methylthio)-2-oxo-hexanoic acid

vmhM:omthhxnt
vmhmetabolite:omthhxnt
GRUGZHAOXOPASC-UHFFFAOYSA-N
2-Oxo-6-methylthiohexanoic acid

seed.compound:cpd17406
seedM:cpd17406
GRUGZHAOXOPASC-UHFFFAOYSA-M
2-Oxo-6-methylthiohexanoic acid
2-oxo-6-methylthiohexanoate
2-oxo-6-methylthiohexanoic acid
6-(Methylthio)-2-oxo-hexanoic acid
6-(methylsulfanyl)-2-oxohexanoate
6-(methylthio)-2-oxohexanoate
6-(methylthio)-2-oxohexanoic acid
hmdb:HMDB0304083
GRUGZHAOXOPASC-UHFFFAOYSA-M
2-oxo-6-methylthiohexanoate
2-oxo-6-Methylthiohexanoic acid
6-(Methylsulfanyl)-2-oxohexanoic acid
6-(Methylsulphanyl)-2-oxohexanoate
6-(Methylsulphanyl)-2-oxohexanoic acid
6-(methylsulfanyl)-2-oxohexanoate

metacyc.compound:CPDQT-27
metacycM:CPDQT-27
GRUGZHAOXOPASC-UHFFFAOYSA-M
6-(methylsulfanyl)-2-oxohexanoate
6-(methylthio)-2-oxohexanoate
6-(methylthio)-2-oxohexanoic acid

keggC:M_C17216
seedM:M_cpd17406
vmhM:M_omthhxnt
secondary/obsolete/fantasy identifier