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ChEBI
> Main
CHEBI:53752 - 1-oleyl-2-linoleyl-PAP
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ChEBI Name
1-oleyl-2-linoleyl-PAP
ChEBI ID
CHEBI:53752
Definition
A carboxylic ester that is a modified acyl glycerol with oleyl and linoleyl entities at C-1 and C-2, respectively, and an aniline moiety at C-3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C44H73NO4
Net Charge
0
Average Mass
680.05470
Monoisotopic Mass
679.55396
InChI
InChI=1S/C44H73NO4/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
21-
23-
25-
27-
29-
34-
38-
43(46)
48-
40-
42(45-
41-
36-
32-
31-
33-
37-
41)
49-
44(47)
39-
35-
30-
28-
26-
24-
22-
20-
18-
16-
14-
12-
10-
8-
6-
4-
2/h12,14,17-
20,31-
33,36-
37,42,45H,3-
11,13,15-
16,21-
30,34-
35,38-
40H2,1-
2H3/b14-
12-
,19-
17-
,20-
18-
InChIKey
XUXGUZSWIDJNES-RQOIEFAZSA-N
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(Nc1ccccc1)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
ChEBI Ontology
Outgoing
1-oleyl-2-linoleyl-PAP (
CHEBI:53752
)
has functional parent
linoleic acid (
CHEBI:17351
)
1-oleyl-2-linoleyl-PAP (
CHEBI:53752
)
has functional parent
oleic acid (
CHEBI:16196
)
1-oleyl-2-linoleyl-PAP (
CHEBI:53752
)
has functional parent
PAP (
CHEBI:53758
)
1-oleyl-2-linoleyl-PAP (
CHEBI:53752
)
is a
carboxylic ester (
CHEBI:33308
)
IUPAC Name
1-anilino-2-[(9
Z
)-octadec-9-enoyloxy]ethyl (9
Z
,12
Z
)-octadeca-9,12-dienoate
Citation
Type
Source
11304127
PubMed citation
Europe PMC
Last Modified
28 July 2014