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2-oxohexanoate

PropertiesImage
MNX_IDMNXM3161 Image of MNXM3161
referencechebi:35177
formulaC6H9O3
global charge-1
mol weight129.135
InChIKeyXNIHZNNZJHYHLC-UHFFFAOYSA-M
InChIInChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)/p-1
SMILESCCCCC(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) Image of MNXM3161
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][C:5]([C:6]([OH:8])=[O:9])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:35177
chebi:35177
XNIHZNNZJHYHLC-UHFFFAOYSA-M
2-oxohexanoate
2-Oxohexanoate
2-ketocaproate
2-ketohexanoate
2-oxocaproate
hmdb:HMDB0001864
XNIHZNNZJHYHLC-UHFFFAOYSA-N
2-Ketohexanoic acid
2-Keto-N-caproate
2-Keto-N-caproic acid
2-Ketocaproate
2-Ketocaproic acid
2-Ketohexanoate
2-Oxohexanoate
2-Oxohexanoic acid
2-oxo 6:0
2-oxo C6:0
2-oxo-Hexanoate
2-oxo-Hexanoic acid
2-oxohexanoic acid
a-Ketocaproate
a-Ketocaproic acid
a-Ketohexanoate
a-Ketohexanoic acid
alpha-Ketocaproate
alpha-Ketocaproic acid
alpha-Ketocaproic acid, sodium salt
alpha-Ketohexanoate
alpha-Ketohexanoic acid
alpha-ketocaproate
alpha-ketocaproic acid
alpha-ketohexanoate
alpha-ketohexanoic acid

sabiork.compound:2183
sabiorkM:2183
XNIHZNNZJHYHLC-UHFFFAOYSA-M
2-Oxohexanoate
2-Oxocaproate
alpha-Oxocaproic acid

seed.compound:cpd00669
seedM:cpd00669
XNIHZNNZJHYHLC-UHFFFAOYSA-M
2-Oxohexanoate
2-Oxohexanoic acid
2-ketocaproate
2-oxohexanoate
alpha-Ketocaproic acid
alpha-ketocaproate

kegg.compound:C00902
keggC:C00902
XNIHZNNZJHYHLC-UHFFFAOYSA-N
2-Oxohexanoic acid
2-Oxohexanoate
alpha-Ketocaproic acid

lipidmaps:LMFA01060007
lipidmapsM:LMFA01060007
XNIHZNNZJHYHLC-UHFFFAOYSA-N
2-keto-n-caproic acid
2-oxo-hexanoic acid
FA 6:1
O

metacyc.compound:2-OXOHEXANOATE
metacycM:2-OXOHEXANOATE
XNIHZNNZJHYHLC-UHFFFAOYSA-M
2-oxohexanoate
2-ketocaproate
2-ketohexanoate
2-ketohexanoic acid
2-oxohexanoic acid
alpha-ketocaproate

CHEBI:17308
chebi:17308
XNIHZNNZJHYHLC-UHFFFAOYSA-N
2-oxohexanoic acid
2-Oxohexanoate
2-Oxohexanoic acid
2-keto-n-caproic acid
2-ketohexanoic acid
2-oxo 6:0
2-oxo C6:0
alpha-Ketocaproic acid
alpha-ketocaproic acid
alpha-ketohexanoic acid

envipath:...ce9b424af4ac
envipathM:...ce9b424af4ac
XNIHZNNZJHYHLC-UHFFFAOYSA-M
compound 0100837

hmdb:HMDB01864
chebi:11640
chebi:1256
chebi:19752
keggC:M_C00902
seedM:M_cpd00669
secondary/obsolete/fantasy identifier