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CHEBI:86099 - 1-[(9Z,12Z)-octadecadienoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86099
ChEBI Name1-[(9Z,12Z)-octadecadienoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z,12Z)-octadecadienoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:2 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z)-octadecadienoyl and linoleoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
InChIKeyFWMYJLDHIVCJCT-ZTIMHPMXSA-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-[(9Z,12Z)-octadecadienoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86099) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(9Z,12Z)-octadecadienoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86099) has functional parent linoleic acid (CHEBI:17351)
1-[(9Z,12Z)-octadecadienoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86099) is a phosphatidylcholine 34:2 (CHEBI:64516)
IUPAC Name 
(2R)-2-(hexadecanoyloxy)-3-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
Phosphatidylcholine(18:2w6/16:0)HMDB
GPCho(18:2n6/16:0)HMDB
Phosphatidylcholine(18:2/16:0)HMDB
PC(18:2/16:0)HMDB
1-Linoleoyl-2-palmitoyl-sn-glycero-3-phosphocholineHMDB
PC(18:2(9Z,12Z)/16:0)LIPID MAPS
Manual XrefsDatabases
HMDB0008133HMDB
LMGP01010932LIPID MAPS