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CHEBI:5658 - hentriacontan-16-one

ChEBI IDCHEBI:5658
ChEBI Namehentriacontan-16-one
Stars
DefinitionA dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group.
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H62O
Net Charge0
Average Mass450.836
Monoisotopic Mass450.48007
SMILESCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyUNRFDARCMOHDBJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Hentriacontan-16-oneKEGG COMPOUND
16-HentriacontanoneKEGG COMPOUND
palmitoneChemIDplus
dipentadecyl ketoneNIST Chemistry WebBook
Manual XrefsDatabases
C08379KEGG COMPOUND
C00001253KNApSAcK
Registry NumbersSources
Reaxys:1802885Reaxys
CAS:502-73-8KEGG COMPOUND
CAS:502-73-8ChemIDplus
CAS:502-73-8NIST Chemistry WebBook
Citations