CHEBI:28579 - ε-caprolactam

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ChEBI Name ε-caprolactam
ChEBI ID CHEBI:28579
ChEBI ASCII Name epsilon-caprolactam
Definition A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10555, CHEBI:23936
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Formula C6H11NO
Net Charge 0
Average Mass 113.15768
InChI InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey JBKVHLHDHHXQEQ-UHFFFAOYSA-N
SMILES O=C1CCCCCN1
Metabolite of Species Details
Homo sapiens (NCBI:9606) Found in blood serum (BTO:0001239). See: MetaboLights Study
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
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ChEBI Ontology
Outgoing ε-caprolactam (CHEBI:28579) has role human blood serum metabolite (CHEBI:85234)
ε-caprolactam (CHEBI:28579) is a caprolactams (CHEBI:23000)
Incoming 2-aminohexano-6-lactam (CHEBI:19471) has functional parent ε-caprolactam (CHEBI:28579)
IUPAC Name
azepan-2-one
Synonyms Sources
2-ketohexamethyleneimine NIST Chemistry WebBook
2-oxohexamethylenimine NIST Chemistry WebBook
6-caprolactam NIST Chemistry WebBook
aminocaproic lactam NIST Chemistry WebBook
caprolactam NIST Chemistry WebBook
epsilon-Caprolactam KEGG COMPOUND
ε-caprolactam NIST Chemistry WebBook
hexahydro-2H-azepin-2-one NIST Chemistry WebBook
Kaprolaktam ChEBI
Database Links Databases
C00000318 KNApSAcK
c0432 UM-BBD
C06593 KEGG COMPOUND
Caprolactam Wikipedia
CPD-883 MetaCyc
ICC PDBeChem
KR20120003540 Patent
US2011183386 Patent
WO2011108251 Patent
View more database links
Registry Numbers Types Sources
101802 Gmelin Registry Number Gmelin
105-60-2 CAS Registry Number KEGG COMPOUND
105-60-2 CAS Registry Number NIST Chemistry WebBook
105-60-2 CAS Registry Number ChemIDplus
106934 Reaxys Registry Number Reaxys
106934 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17161908 PubMed citation CiteXplore
2263224 PubMed citation CiteXplore
9688819 PubMed citation CiteXplore
Last Modified
16 March 2015