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CHEBI:53752 - 1-oleyl-2-linoleyl-PAP

ChEBI IDCHEBI:53752
ChEBI Name1-oleyl-2-linoleyl-PAP
Stars
DefinitionA 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.
Last Modified28 July 2014
Submitterzjosephs
DownloadsMolfile
FormulaC44H73NO4
Net Charge0
Average Mass680.071
Monoisotopic Mass679.55396
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)Nc1ccccc1
InChIInChI=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-
InChIKeyXUXGUZSWIDJNES-RQOIEFAZSA-N
ChEBI Ontology
Outgoing Relation(s)
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-[(9Z)-octadec-9-enoyloxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate
Citations