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

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cyclohexane-1-carboxylate

	Properties	Image
MNX_ID	MNXM8476
reference	chebi:27804
formula	C₇H₁₁O₂
global charge	-1
mol weight	127.163
InChIKey	NZNMSOFKMUBTKW-UHFFFAOYSA-M
InChI	InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)/p-1
SMILES	O=C([O-])C1CCCCC1

MNX internals

InChI (mnx)	InChI=1/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
SMILES (mnx)	[CH2:1]1[CH2:2][CH2:4][CH:6]([C:7](=[O:8])[OH:9])[CH2:5][CH2:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27804 chebi:27804 NZNMSOFKMUBTKW-UHFFFAOYSA-M	cyclohexane-1-carboxylate cyclohexanecarboxylate cyclohexanecarboxylic acid, ion(1-)
kegg.compound:C09822 keggC:C09822 NZNMSOFKMUBTKW-UHFFFAOYSA-N	Cyclohexane-1-carboxylate Cyclohexanecarboxylic acid Hexahydrobenzoic acid
hmdb:HMDB0031342 NZNMSOFKMUBTKW-UHFFFAOYSA-N	Cyclohexanecarboxylic acid 7549-42-0 (Calcium salt) Carboxycyclohexane Cyclohexancarbonsaeure Cyclohexane-1-carboxylate Cyclohexane-1-carboxylic acid Cyclohexanecarboxylate Cyclohexanecarboxylic acid, calcium salt Cyclohexanecarboxylic acid, cobalt salt Cyclohexanecarboxylic acid, lead salt Cyclohexanecarboxylic acid, potassium salt Cyclohexanecarboxylic acid, sodium salt Cyclohexanecarboxylic acid, sodium salt, 11C-labeled Cyclohexanoate Cyclohexanoic acid Cyclohexylcarboxylate Cyclohexylcarboxylic acid Cyclohexylformate Cyclohexylformic acid Cyclohexylmethanoate Cyclohexylmethanoic acid FEMA 3531 Hexahydrobenzoate Hexahydrobenzoic acid Naphthenic acid Naphthenoic acid hexahydro-Benzoic acid
seed.compound:cpd06714 seedM:cpd06714 NZNMSOFKMUBTKW-UHFFFAOYSA-M	Hexahydrobenzoic acid Cyclohexane-1-carboxylate Cyclohexanecarboxylic acid cyclohexane-1-carboxylate
envipath:...5870fdd7846e envipathM:...5870fdd7846e NZNMSOFKMUBTKW-UHFFFAOYSA-M	compound 0046942
metacyc.compound:CPD-575 metacycM:CPD-575 NZNMSOFKMUBTKW-UHFFFAOYSA-M	cyclohexane-1-carboxylate
CHEBI:36096 chebi:36096 NZNMSOFKMUBTKW-UHFFFAOYSA-N	cyclohexanecarboxylic acid Cyclohexancarbonsaeure Cyclohexane-1-carboxylate Cyclohexanecarboxylic acid Hexahydrobenzoic acid carboxycyclohexane cyclohexanoic acid cyclohexylcarboxylic acid cyclohexylformic acid cyclohexylmethanoic acid
hmdb:HMDB31342 chebi:23475 chebi:23476 chebi:23477 chebi:36082 chebi:36083 chebi:4012 keggC:M_C09822 seedM:M_cpd06714	secondary/obsolete/fantasy identifier