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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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-2H-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 106934 Beilstein Registry Number Beilstein Citations Types Sources 17161908 PubMed citation Europe PMC 2263224 PubMed citation Europe PMC 9688819 PubMed citation Europe PMC Last Modified 21 May 2020