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CHEBI:53754 - 1-oleoyl-2-linolenoyl-PAP

ChEBI IDCHEBI:53754
ChEBI Name1-oleoyl-2-linolenoyl-PAP
Stars
DefinitionA carboxylic ester that is a modified acyl glycerol with oleoyl and linolenoyl entities at C-1 and C-2, respectively, and an aniline moiety at C-3.
Last Modified30 July 2014
Submitterzjosephs
DownloadsMolfile
FormulaC45H73NO4
Net Charge0
Average Mass692.082
Monoisotopic Mass691.55396
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CNc1ccccc1)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C45H73NO4/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/h6,8,12,14,17-20,31-33,36-37,43,46H,3-5,7,9-11,13,15-16,21-30,34-35,38-41H2,1-2H3/b8-6-,14-12-,19-17-,20-18-
InChIKeyCPKBKILETSRLMG-XEKZTXPJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-oleoyl-2-linolenoyl-PAP (CHEBI:53754) has functional parent oleic acid (CHEBI:16196)
1-oleoyl-2-linolenoyl-PAP (CHEBI:53754) has functional parent PAP (CHEBI:53758)
1-oleoyl-2-linolenoyl-PAP (CHEBI:53754) has functional parent α-linolenic acid (CHEBI:27432)
1-oleoyl-2-linolenoyl-PAP (CHEBI:53754) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
1-[(9Z)-octadec-9-enoyloxy]-3-(phenylamino)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Citations