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> Main
CHEBI:145972 - hexadecyl benzoate
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ChEBI Name
hexadecyl benzoate
ChEBI ID
CHEBI:145972
Definition
A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of hexadecan-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C23H38O2
Net Charge
0
Average Mass
346.555
Monoisotopic Mass
346.28718
InChI
InChI=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
InChIKey
RAMRROOXFMYSNA-UHFFFAOYSA-N
SMILES
O(CCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1
Metabolite of Species
Details
Rhodococcus rhodochrous
(NCBI:txid1829)
See:
PubMed
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
benzoic acid cetyl ester
ChEBI
benzoic acid hexadecyl ester
ChEBI
cetyl benzoate
ChemIDplus
Manual Xref
Database
HMDB0094685
HMDB
View more database links
Registry Number
Type
Source
22485-54-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
19125399
PubMed citation
Europe PMC
Last Modified
06 February 2020