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CHEBI:53755 - 1-linolenyl-2-linoleyl-PAP

ChEBI IDCHEBI:53755
ChEBI Name1-linolenyl-2-linoleyl-PAP
Stars
DefinitionA 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.
Last Modified30 July 2014
Submitterzjosephs
DownloadsMolfile
FormulaC45H71NO4
Net Charge0
Average Mass690.066
Monoisotopic Mass689.53831
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(CNc1ccccc1)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=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-
InChIKeyHXBZLJYQLHNONL-LOYOHVQTSA-N
ChEBI Ontology
Outgoing Relation(s)
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) has functional parent α-linolenic acid (CHEBI:27432)
1-linolenyl-2-linoleyl-PAP (CHEBI:53755) is a carboxylic ester (CHEBI:33308)
Synonym  Source
N-{2-[(9Z,12Z)-octadeca-9,12-dien-1-yloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-yloxy]propyl}anilineChEBI
Citations