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5-oxohexanoate

PropertiesImage
MNX_IDMNXM4400 Image of MNXM4400
referencechebi:12154
formulaC6H9O3
global charge-1
mol weight129.135
InChIKeyMGTZCLMLSSAXLD-UHFFFAOYSA-M
InChIInChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)/p-1
SMILESCC(=O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9) Image of MNXM4400
SMILES (mnx)[CH3:1][C:5]([CH2:3][CH2:2][CH2:4][C:6](=[O:8])[OH:9])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:12154
chebi:12154
MGTZCLMLSSAXLD-UHFFFAOYSA-M
5-oxohexanoate
4-acetylbutyrate
5-ketocaproate
5-ketohexanoate
delta-ketocaproate
delta-oxocaproate
gamma-acetylbutyrate
hmdb:HMDB0061881
MGTZCLMLSSAXLD-UHFFFAOYSA-N
4-Acetylbutyrate
4-Acetyl-butanoate
4-Acetyl-butanoic acid
4-Acetyl-butyrate
4-Acetyl-butyric acid
4-Acetylbutyric acid
5-Keto-N-caproate
5-Keto-N-caproic acid
5-Ketocaproate
5-Ketocaproic acid
5-Ketohexanoate
5-Ketohexanoic acid
5-Oxocaproate
5-Oxocaproic acid
5-Oxohexanoate
5-Oxohexanoic acid
5-oxohexanoic acid
delta-Ketocaproate
delta-Ketocaproic acid
delta-Oxocaproate
delta-Oxocaproic acid
delta-ketocaproate
delta-ketocaproic acid
delta-oxocaproate
delta-oxocaproic acid
g-Acetylbutyrate
g-Acetylbutyric acid
gamma-Acetylbutyrate
gamma-Acetylbutyric acid
gamma-acetylbutyrate
gamma-acetylbutyric acid

seed.compound:cpd01440
seedM:cpd01440
MGTZCLMLSSAXLD-UHFFFAOYSA-M
5-Oxohexanoate
4-Acetylbutyric acid
5-Oxohexanoic acid
5-oxohexanoate

kegg.compound:C02129
keggC:C02129
MGTZCLMLSSAXLD-UHFFFAOYSA-N
5-Oxohexanoic acid
4-Acetylbutyric acid
5-Oxohexanoate

lipidmaps:LMFA01060010
lipidmapsM:LMFA01060010
MGTZCLMLSSAXLD-UHFFFAOYSA-N
5-keto-n-caproic acid
5-oxo-hexanoic acid
FA 6:1
O

metacyc.compound:5-OXOHEXANOATE
metacycM:5-OXOHEXANOATE
MGTZCLMLSSAXLD-UHFFFAOYSA-M
5-oxohexanoate

CHEBI:15888
chebi:15888
MGTZCLMLSSAXLD-UHFFFAOYSA-N
5-oxohexanoic acid
4-Acetylbutyric acid
4-acetyl-butanoic acid
4-acetyl-butyric acid
5-Ketocaproic acid
5-Ketohexanoic acid
5-Oxohexanoate
5-Oxohexanoic acid
5-keto-n-caproic acid
5-oxocaproic acid
delta-Ketocaproic acid
delta-Oxocaproic acid
gamma-Acetylbutyric acid

envipath:...b9cff114d790
envipathM:...b9cff114d790
MGTZCLMLSSAXLD-UHFFFAOYSA-M
compound 0040203

envipath:...6d0d827419cf
envipathM:...6d0d827419cf
MGTZCLMLSSAXLD-UHFFFAOYSA-M
compound 0040205

hmdb:HMDB61881
chebi:20621
chebi:2114
keggC:M_C02129
seedM:M_cpd01440
secondary/obsolete/fantasy identifier