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CHEBI:133640 - 1-palmitoyl-3-linoleoylglycerol

ChEBI IDCHEBI:133640
ChEBI Name1-palmitoyl-3-linoleoylglycerol
Stars
DefinitionA 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as palmitoyl (hexadecanoyl) and linoleoyl respectively.
Last Modified5 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC37H68O5
Net Charge0
Average Mass592.946
Monoisotopic Mass592.50668
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38H,3-10,12,14-16,19-34H2,1-2H3/b13-11-,18-17-
InChIKeyZKYDYRLDJZZKEU-BCTRXSSUSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-3-linoleoylglycerol (CHEBI:133640) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-3-linoleoylglycerol (CHEBI:133640) has functional parent linoleic acid (CHEBI:17351)
1-palmitoyl-3-linoleoylglycerol (CHEBI:133640) is a 1,3-diglyceride (CHEBI:47777)
1-palmitoyl-3-linoleoylglycerol (CHEBI:133640) is a diacylglycerol 34:2 (CHEBI:85693)
IUPAC Name 
3-(hexadecanoyloxy)-2-hydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
DG(16:0/18:2)ChEBI
1-hexadecanoyl-3-[(9Z,12Z)-octadecadienoyl]-glycerolChEBI
DG(16:0/0:0/18:2)ChEBI
DG(16:0/0:0/18:2(9Z,12Z))ChEBI
DAG(16:0/0:0/18:2w6)HMDB
Diacylglycerol(34:2)HMDB
Manual XrefsDatabases
HMDB0056022HMDB
Registry NumbersSources
Reaxys:6785947Reaxys