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CHEBI:86416 - 1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86416
ChEBI Name1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 40:3 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z,14Z,17Z)-eicosatrienoyl respectively.
Last Modified10 July 2015
Submitternamrata
DownloadsMolfile
FormulaC48H90NO8P
Net Charge0
Average Mass840.221
Monoisotopic Mass839.64041
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,46H,6-8,10,12-14,16,18-20,22,24-45H2,1-5H3/b11-9-,17-15-,23-21-/t46-/m1/s1
InChIKeyREABNEVSLLNWCN-NEUZZYPFSA-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-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86416) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86416) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86416) is a phosphatidylcholine 40:3 (CHEBI:66863)
IUPAC Name 
(2R)-3-(icosanoyloxy)-2-{[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(20:0/20:3(11Z,14Z,17Z))LIPID MAPS
Manual XrefsDatabases
LMGP01011022LIPID MAPS