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

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epsilon-caprolactam

	Properties	Image
MNX_ID	MNXM8579
reference	chebi:28579
formula	C₆H₁₁NO
global charge	0
mol weight	113.16
InChIKey	JBKVHLHDHHXQEQ-UHFFFAOYSA-N
InChI	InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
SMILES	O=C1CCCCCN1

MNX internals

InChI (mnx)	InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
SMILES (mnx)	[CH2:1]1[CH2:2][CH2:4][C:6]([OH:8])=[N:7][CH2:5][CH2:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9728975 reactomeM:R-ALL-9728975 CHEBI:28579 chebi:28579 JBKVHLHDHHXQEQ-UHFFFAOYSA-N	epsilon-caprolactam 2-ketohexamethyleneimine 2-oxohexamethylenimine 6-caprolactam Kaprolaktam aminocaproic lactam azepan-2-one caprolactam epsilon-Caprolactam hexahydro-2H-azepin-2-one
metacyc.compound:CPD-883 metacycM:CPD-883 JBKVHLHDHHXQEQ-UHFFFAOYSA-N	6-caprolactam 2-azacycloheptanone 2-oxohexamethylenimine 2-perhydroazepinone 6-aminocaproic acid lactam 6-aminohexanoic acid cyclic lactam 6-hexanelactam E-caprolactam aminocaproic lactam cyclohexanone iso-oxime epsilon-caprolactam gamma-caprolactam hexahydro-2-azepinone hexahydro-2H-azepin-2-one hexannic acid hexanoic acid-6-amino-lactam hexanolactam perhydroazepin-2-one
hmdb:HMDB0062769 JBKVHLHDHHXQEQ-UHFFFAOYSA-N	Epsilon-caprolactam 2-Ketohexamethyleneimine 2-Oxohexamethylenimine 6-Caprolactam Aminocaproic lactam Caprolactam Hexahydro 2H azepin 2 one Hexahydro-2H-azepin-2-one Kaprolaktam Lactam, aminocaproic azepan-2-one caprolactam
envipath:...4efa377a98ae envipathM:...4efa377a98ae kegg.compound:C06593 keggC:C06593 vmhM:epcplctm vmhmetabolite:epcplctm JBKVHLHDHHXQEQ-UHFFFAOYSA-N	epsilon-Caprolactam
seed.compound:cpd03997 seedM:cpd03997 JBKVHLHDHHXQEQ-UHFFFAOYSA-N	epsilon-Caprolactam 2-azacycloheptanone 2-oxohexamethylenimine 2-perhydroazepinone 6-aminocaproic acid lactam 6-aminohexanoic acid cyclic lactam 6-caprolactam 6-hexanelactam E-caprolactam aminocaproic lactam cyclohexanone iso-oxime epsilon-caprolactam gamma-caprolactam hexahydro-2-azepinone hexahydro-2H-Azepin-2-one hexahydro-2H-azepin-2-one hexannic acid hexanoic acid-6-amino-lactam hexanolactam perhydroazepin-2-one
hmdb:HMDB62769 chebi:10555 chebi:23936 keggC:M_C06593 seedM:M_cpd03997 vmhM:M_epcplctm	secondary/obsolete/fantasy identifier