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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
Monoisotopic Mass
113.08406
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:txid9606)
Found in blood serum
(BTO:0000133)
. See:
MetaboLights Study
Roles Classification
Biological Role
(s):
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
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
)
3-acetylazepan-2-one (
CHEBI:149781
)
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-2
H
-azepin-2-one
NIST Chemistry WebBook
Kaprolaktam
ChEBI
Manual Xrefs
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
Citations
Types
Sources
17161908
PubMed citation
Europe PMC
2263224
PubMed citation
Europe PMC
9688819
PubMed citation
Europe PMC
Last Modified
21 May 2020