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CHEBI:86447 - 1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:86447
ChEBI Name1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-40:4 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC48H90NO7P
Net Charge0
Average Mass824.222
Monoisotopic Mass823.64549
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,47H,6-13,15,17-19,21,23-24,27-28,30,32-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-/t47-/m1/s1
InChIKeyJNARUQNCSCUODB-HXVMWHSPSA-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-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86447) has functional parent all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487)
1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86447) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86447) is a phosphatidylcholine O-40:4 (CHEBI:85571)
IUPAC Name 
(2R)-2-{[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-18:0/22:4(7Z,10Z,13Z,16Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020215LIPID MAPS