EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28579 - ε-caprolactam

ChEBI IDCHEBI:28579
ChEBI Nameε-caprolactam
Stars
ASCII Nameepsilon-caprolactam
DefinitionA member of the class of caprolactams that is azepane substituted by an oxo group at position 2.
Secondary ChEBI IDsCHEBI:10555, CHEBI:23936
Last Modified21 May 2020
DownloadsMolfile
FormulaC6H11NO
Net Charge0
Average Mass113.160
Monoisotopic Mass113.08406
SMILESO=C1CCCCCN1
InChIInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKeyJBKVHLHDHHXQEQ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS90)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
ε-caprolactam (CHEBI:28579) has role human blood serum metabolite (CHEBI:85234)
ε-caprolactam (CHEBI:28579) is a caprolactams (CHEBI:23000)
Incoming Relation(s)
2-aminohexano-6-lactam (CHEBI:19471) has functional parent ε-caprolactam (CHEBI:28579)
3-acetylazepan-2-one (CHEBI:149781) has functional parent ε-caprolactam (CHEBI:28579)
IUPAC Name 
azepan-2-one
Synonyms  Source
epsilon-CaprolactamKEGG COMPOUND
ε-caprolactamNIST Chemistry WebBook
hexahydro-2H-azepin-2-oneNIST Chemistry WebBook
caprolactamNIST Chemistry WebBook
KaprolaktamChEBI
2-oxohexamethylenimineNIST Chemistry WebBook
Manual XrefsDatabases
C06593KEGG COMPOUND
c0432UM-BBD
CPD-883MetaCyc
ICCPDBeChem
CaprolactamWikipedia
WO2011108251Patent
KR20120003540Patent
US2011183386Patent
C00000318KNApSAcK
Registry NumbersSources
Gmelin:101802Gmelin
Reaxys:106934Reaxys
CAS:105-60-2KEGG COMPOUND
CAS:105-60-2ChemIDplus
CAS:105-60-2NIST Chemistry WebBook
Citations