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CHEBI:145972 - hexadecyl benzoate

ChEBI IDCHEBI:145972
ChEBI Namehexadecyl benzoate
Stars
DefinitionA benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of hexadecan-1-ol.
Last Modified6 February 2020
Submittermwilliams
DownloadsMolfile
FormulaC23H38O2
Net Charge0
Average Mass346.555
Monoisotopic Mass346.28718
SMILESCCCCCCCCCCCCCCCCOC(=O)c1ccccc1
InChIInChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKeyRAMRROOXFMYSNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rhodococcus rhodochrous (ncbitaxon:1829) - PubMed (19125399)
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
hexadecyl benzoate (CHEBI:145972) has functional parent benzoic acid (CHEBI:30746)
hexadecyl benzoate (CHEBI:145972) has functional parent hexadecan-1-ol (CHEBI:16125)
hexadecyl benzoate (CHEBI:145972) has role bacterial xenobiotic metabolite (CHEBI:76976)
hexadecyl benzoate (CHEBI:145972) is a benzoate ester (CHEBI:36054)
IUPAC Name 
hexadecyl benzoate
Synonyms  Source
benzoic acid hexadecyl esterChEBI
cetyl benzoateChemIDplus
benzoic acid cetyl esterChEBI
Manual XrefsDatabases
HMDB0094685HMDB
Registry NumbersSources
CAS:22485-54-7ChemIDplus
Citations