CHEBI:5658 - hentriacontan-16-one

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ChEBI Name hentriacontan-16-one
ChEBI ID CHEBI:5658
Definition A dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H62O
Net Charge 0
Average Mass 450.82340
Monoisotopic Mass 450.480
InChI InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey UNRFDARCMOHDBJ-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): anticonvulsant
A drug used to prevent seizures or reduce their severity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hentriacontan-16-one (CHEBI:5658) has parent hydride hentriacontane (CHEBI:5659)
hentriacontan-16-one (CHEBI:5658) has role anticonvulsant (CHEBI:35623)
hentriacontan-16-one (CHEBI:5658) has role metabolite (CHEBI:25212)
hentriacontan-16-one (CHEBI:5658) is a dialkyl ketone (CHEBI:18044)
IUPAC Name
hentriacontan-16-one
Synonyms Sources
16-Hentriacontanone KEGG COMPOUND
dipentadecyl ketone NIST Chemistry WebBook
Hentriacontan-16-one KEGG COMPOUND
palmitone ChemIDplus
Manual Xrefs Databases
C00001253 KNApSAcK
C08379 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1802885 Beilstein Registry Number Beilstein
1802885 Reaxys Registry Number Reaxys
502-73-8 CAS Registry Number NIST Chemistry WebBook
502-73-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11301859 PubMed citation Europe PMC
20045039 PubMed citation Europe PMC
Last Modified
28 July 2014