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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-oleoyl-2-linolenoyl-PAP ChEBI ID CHEBI:53754 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C45H73NO4 Net Charge 0 Average Mass 692.06540 Monoisotopic Mass 691.55396 InChI InChI=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- InChIKey CPKBKILETSRLMG-XEKZTXPJSA-N SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CNc1ccccc1)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChEBI Ontology Outgoing 1-oleoyl-2-linolenoyl-PAP (CHEBI:53754) has functional parent α-linolenic acid (CHEBI:27432) 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) 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 Citation Type Source 11304127 PubMed citation Europe PMC Last Modified 30 July 2014