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CHEBI:86504 - 1-hexadecyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86504
ChEBI Name1-hexadecyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-36:2 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (11Z,14Z)-eicosadienoyl respectively.
Last Modified16 July 2015
Submitternamrata
DownloadsMolfile
FormulaC44H86NO7P
Net Charge0
Average Mass772.146
Monoisotopic Mass771.61419
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,43H,6-13,15,17-19,21,23-42H2,1-5H3/b16-14-,22-20-/t43-/m1/s1
InChIKeyZYLPVUZBZNMVMR-ZBBHDILGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86504) has functional parent (11Z,14Z)-icosadienoic acid (CHEBI:73731)
1-hexadecyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86504) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86504) is a phosphatidylcholine O-36:2 (CHEBI:67065)
IUPAC Name 
(2R)-3-(hexadecyloxy)-2-{[(11Z,14Z)-icosa-11,14-dienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-16:0/20:2(11Z,14Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020188LIPID MAPS