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CHEBI:86436 - 1-hexadecyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86436
ChEBI Name1-hexadecyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-36:3 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (8Z,11Z,14Z)-eicosatrienoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC44H84NO7P
Net Charge0
Average Mass770.130
Monoisotopic Mass769.59854
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H84NO7P/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/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14-,22-20-,25-24-/t43-/m1/s1
InChIKeyVYKSGWCIVDQIQR-MEAIPJDCSA-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-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86436) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
1-hexadecyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86436) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86436) is a phosphatidylcholine O-36:3 (CHEBI:64537)
IUPAC Name 
(2R)-3-(hexadecyloxy)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-16:0/20:3(8Z,11Z,14Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020053LIPID MAPS