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3-oxooctanoic acid

PropertiesImage
MNX_IDMNXM14629 Image of MNXM14629
referencechebi:44680
formulaC8H14O3
global charge0
mol weight158.197
InChIKeyFWNRRWJFOZIGQZ-UHFFFAOYSA-N
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
SMILESCCCCCC(=O)CC(=O)O
MNX internals
InChI (mnx)InChI=1/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11) Image of MNXM14629
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:7]([CH2:6][C:8](=[O:10])[OH:11])=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:44680
chebi:44680
FWNRRWJFOZIGQZ-UHFFFAOYSA-N
3-oxooctanoic acid
3-Ketooctanoic acid
3-keto-n-caprylic acid
beta-ketocaprylic acid
beta-ketooctanoic acid
beta-oxocaprylic acid
beta-oxooctanoic acid
hmdb:HMDB0010721
FWNRRWJFOZIGQZ-UHFFFAOYSA-N
3-Oxooctanoic acid
3-Keto-N-caprylate
3-Keto-N-caprylic acid
3-Ketooctanoate
3-Ketooctanoic acid
3-Oxooctanoate
3-oxo-Octanoate
3-oxo-Octanoic acid
3-oxooctanoic acid
b-Ketocaprylate
b-Ketocaprylic acid
b-Ketooctanoate
b-Ketooctanoic acid
b-Oxocaprylate
b-Oxocaprylic acid
b-Oxooctanoate
b-Oxooctanoic acid
beta-Ketocaprylate
beta-Ketocaprylic acid
beta-Ketooctanoate
beta-Ketooctanoic acid
beta-Oxocaprylate
beta-Oxocaprylic acid
beta-Oxooctanoate
beta-Oxooctanoic acid
beta-ketocaprylate
beta-ketocaprylic acid
beta-ketooctanoate
beta-ketooctanoic acid
beta-oxocaprylate
beta-oxocaprylic acid
beta-oxooctanoate
beta-oxooctanoic acid

lipidmaps:LMFA01060017
lipidmapsM:LMFA01060017
FWNRRWJFOZIGQZ-UHFFFAOYSA-N
3-keto-n-caprylic acid
3-oxo-octanoic acid
FA 8:1
O

metacyc.compound:CPD-10799
metacycM:CPD-10799
seed.compound:cpd22823
seedM:cpd22823
FWNRRWJFOZIGQZ-UHFFFAOYSA-M
3-oxooctanoate
3-oxooctanoic acid

hmdb:HMDB10721
chebi:37106
chebi:44675
seedM:M_cpd22823
secondary/obsolete/fantasy identifier