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5-oxohexanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4400

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₆H₉O₃

charge

-1

mass

129.05572

reference

chebi:12154

InChIKey

MGTZCLMLSSAXLD-UHFFFAOYSA-M

InChI

InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)/p-1

SMILES

CC(=O)CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:12154 chebi:12154	5-oxohexanoate 4-acetylbutyrate 5-ketocaproate 5-ketohexanoate delta-ketocaproate delta-oxocaproate gamma-acetylbutyrate
hmdb:HMDB0061881	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	5-Oxohexanoate 4-Acetylbutyric acid 5-Oxohexanoic acid 5-oxohexanoate
kegg.compound:C02129 keggC:C02129	5-Oxohexanoic acid 4-Acetylbutyric acid 5-Oxohexanoate
lipidmaps:LMFA01060010 lipidmapsM:LMFA01060010	5-keto-n-caproic acid 5-oxo-hexanoic acid FA 6:1 O
metacyc.compound:5-OXOHEXANOATE metacycM:5-OXOHEXANOATE	5-oxohexanoate
CHEBI:15888 chebi:15888	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	compound 0040203
envipath:...6d0d827419cf envipathM:...6d0d827419cf	compound 0040205
hmdb:HMDB61881 chebi:20621 chebi:2114 keggC:M_C02129 seedM:M_cpd01440	secondary/obsolete/fantasy identifier