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ChEBI
> Main
CHEBI:53755 - 1-linolenyl-2-linoleyl-PAP
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ChEBI Ontology
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ChEBI Name
1-linolenyl-2-linoleyl-PAP
ChEBI ID
CHEBI:53755
Definition
A carboxylic ester that is a modified acyl glycerol with linolenyl and linoleyl entities at C-1 and C-2, respectively; and an anilino moiety at C-3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C45H71NO4
Net Charge
0
Average Mass
690.04950
Monoisotopic Mass
689.53831
InChI
InChI=1S/C45H71NO4/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
21-
23-
25-
27-
29-
34-
38-
44(47)
49-
41-
43(40-
46-
42-
36-
32-
31-
33-
37-
42)
50-
45(48)
39-
35-
30-
28-
26-
24-
22-
20-
18-
16-
14-
12-
10-
8-
6-
4-
2/h5,7,11-
14,17-
20,31-
33,36-
37,43,46H,3-
4,6,8-
10,15-
16,21-
30,34-
35,38-
41H2,1-
2H3/b7-
5-
,13-
11-
,14-
12-
,19-
17-
,20-
18-
InChIKey
HXBZLJYQLHNONL-LOYOHVQTSA-N
SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CNc1ccccc1)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
ChEBI Ontology
Outgoing
1-linolenyl-2-linoleyl-PAP (
CHEBI:53755
)
has functional parent
α-linolenic acid (
CHEBI:27432
)
1-linolenyl-2-linoleyl-PAP (
CHEBI:53755
)
has functional parent
linoleic acid (
CHEBI:17351
)
1-linolenyl-2-linoleyl-PAP (
CHEBI:53755
)
has functional parent
PAP (
CHEBI:53758
)
1-linolenyl-2-linoleyl-PAP (
CHEBI:53755
)
is a
carboxylic ester (
CHEBI:33308
)
Synonym
Source
N
-
{2-
[(9
Z
,12
Z
)-
octadeca-
9,12-
dien-
1-
yloxy]-
3-
[(9
Z
,12
Z
,15
Z
)-
octadeca-
9,12,15-
trien-
1-
yloxy]propyl}aniline
ChEBI
Citation
Type
Source
11304127
PubMed citation
Europe PMC
Last Modified
30 July 2014