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2-oxohexanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3161

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	1

formula

C₆H₉O₃

charge

-1

mass

129.05572

reference

chebi:35177

InChIKey

XNIHZNNZJHYHLC-UHFFFAOYSA-M

InChI

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

SMILES

CCCCC(=O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35177 chebi:35177	2-oxohexanoate 2-Oxohexanoate 2-ketocaproate 2-ketohexanoate 2-oxocaproate
hmdb:HMDB0001864	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	2-Oxohexanoate 2-Oxocaproate alpha-Oxocaproic acid
seed.compound:cpd00669 seedM:cpd00669	2-Oxohexanoate 2-Oxohexanoic acid 2-ketocaproate 2-oxohexanoate alpha-Ketocaproic acid alpha-ketocaproate
kegg.compound:C00902 keggC:C00902	2-Oxohexanoic acid 2-Oxohexanoate alpha-Ketocaproic acid
lipidmaps:LMFA01060007 lipidmapsM:LMFA01060007	2-keto-n-caproic acid 2-oxo-hexanoic acid FA 6:1 O
metacyc.compound:2-OXOHEXANOATE metacycM:2-OXOHEXANOATE	2-oxohexanoate 2-ketocaproate alpha-ketocaproate
CHEBI:17308 chebi:17308	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	compound 0100837
hmdb:HMDB01864 chebi:11640 chebi:1256 chebi:19752 keggC:M_C00902 seedM:M_cpd00669	secondary/obsolete/fantasy identifier