Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:84072 - hexadecyl elaidate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
hexadecyl elaidate
ChEBI ID
CHEBI:84072
Definition
A wax ester resulting from the formal condensation of the carboxy group of elaidic acid with the hydroxy group of hexadecan-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C34H66O2
Net Charge
0
Average Mass
506.88660
Monoisotopic Mass
506.50628
InChI
InChI=1S/C34H66O2/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
20-
22-
24-
26-
28-
30-
32-
34(35)
36-
33-
31-
29-
27-
25-
23-
21-
18-
16-
14-
12-
10-
8-
6-
4-
2/h17,19H,3-
16,18,20-
33H2,1-
2H3/b19-
17+
InChIKey
JYTMDBGMUIAIQH-HTXNQAPBSA-N
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
ChEBI Ontology
Outgoing
hexadecyl elaidate (
CHEBI:84072
)
has functional parent
elaidic acid (
CHEBI:27997
)
hexadecyl elaidate (
CHEBI:84072
)
has functional parent
hexadecan-1-ol (
CHEBI:16125
)
hexadecyl elaidate (
CHEBI:84072
)
is a
wax ester (
CHEBI:10036
)
IUPAC Name
hexadecyl (9
E
)-octadec-9-enoate
Synonyms
Sources
hexadecanyl (9
E
)-octadecenoate
UniProt
hexadecyl (9
E
)-octadecenoate
SUBMITTER
Registry Number
Type
Source
1716753
Reaxys Registry Number
Reaxys
Citation
Type
Source
15070765
PubMed citation
SUBMITTER
Last Modified
31 July 2015