MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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4-oxocyclohexane-1-carboxylate

	Properties	Image
MNX_ID	MNXM3868
reference	chebi:15777
formula	C₇H₉O₃
global charge	-1
mol weight	141.146
InChIKey	OWLXUYGCLDGHJJ-UHFFFAOYSA-M
InChI	InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)/p-1
SMILES	O=C1CCC(C(=O)[O-])CC1

MNX internals

InChI (mnx)	InChI=1/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)
SMILES (mnx)	[CH2:1]1[CH2:3][C:6](=[O:8])[CH2:4][CH2:2][CH:5]1[C:7](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15777 chebi:15777 OWLXUYGCLDGHJJ-UHFFFAOYSA-M	4-oxocyclohexane-1-carboxylate 4-Oxocyclohexanecarboxylate 4-ketocyclohexanecarboxylate 4-oxocyclohexanecarboxylate
kegg.compound:C03767 keggC:C03767 OWLXUYGCLDGHJJ-UHFFFAOYSA-N	4-Oxocyclohexanecarboxylate 4-Oxocyclohexane-1-carboxylate
seed.compound:cpd02363 seedM:cpd02363 OWLXUYGCLDGHJJ-UHFFFAOYSA-M	4-Oxocyclohexanecarboxylate 4-carboxycyclohexanone 4-oxocyclohexane-1-carboxylic acid 4-oxocyclohexanecarboxylate
metacyc.compound:4-OXOCYCLOHEXANECARBOXYLATE metacycM:4-OXOCYCLOHEXANECARBOXYLATE OWLXUYGCLDGHJJ-UHFFFAOYSA-M	4-oxocyclohexanecarboxylate 4-carboxycyclohexanone 4-oxocyclohexane-1-carboxylic acid
CHEBI:1921 chebi:1921 OWLXUYGCLDGHJJ-UHFFFAOYSA-N	4-oxocyclohexanecarboxylic acid 1-cyclohexanone-4-carboxylic acid 4-Ketocyclohexanecarboxylic acid cyclohexanone-4-carboxylic acid
envipath:...a54405b668d1 envipathM:...a54405b668d1 envipath:...e36535f75d5d envipathM:...e36535f75d5d OWLXUYGCLDGHJJ-UHFFFAOYSA-M	compound 0052317
chebi:12039 chebi:20464 keggC:M_C03767 seedM:M_cpd02363	secondary/obsolete/fantasy identifier