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CHEBI:86418 - 1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86418
ChEBI Name1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 42:2 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (5Z,9Z)-hexacosadienoyl respectively.
Last Modified10 July 2015
Submitternamrata
DownloadsMolfile
FormulaC50H96NO8P
Net Charge0
Average Mass870.291
Monoisotopic Mass869.68736
SMILESCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h28-29,35,37,48H,6-27,30-34,36,38-47H2,1-5H3/b29-28-,37-35-/t48-/m1/s1
InChIKeyITFWNTFYLTWDNT-DDPSORSSSA-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-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86418) has functional parent (5Z,9Z)-5,9-hexacosadienoic acid (CHEBI:86419)
1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86418) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86418) is a phosphatidylcholine 42:2 (CHEBI:66969)
IUPAC Name 
(2R)-2-{[(5Z,9Z)-hexacosa-5,9-dienoyl]oxy}-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(16:0/26:2(5Z,9Z))LIPID MAPS
Manual XrefsDatabases
LMGP01010665LIPID MAPS