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CHEBI:86445 - 1-eicosyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86445
ChEBI Name1-eicosyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-eicosyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-40:3 in which the alkyl and acyl groups specified at positions 1 and 2 are eicosyl and (8Z,11Z,14Z)-eicosatrienoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC48H92NO7P
Net Charge0
Average Mass826.238
Monoisotopic Mass825.66114
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,47H,6-14,16,18-20,22,24-26,28,30-46H2,1-5H3/b17-15-,23-21-,29-27-/t47-/m1/s1
InChIKeyBCEAHYQVENOHDO-DRFCSKHVSA-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-eicosyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86445) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
1-eicosyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86445) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-eicosyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86445) is a phosphatidylcholine O-40:3 (CHEBI:85570)
IUPAC Name 
(2R)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-20:0/20:3(8Z,11Z,14Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020237LIPID MAPS