EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86450 - 1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86450
ChEBI Name1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-42:2 in which the alkyl and acyl groups specified at positions 1 and 2 are icosyl and (13Z,16Z)-docosadienoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC50H98NO7P
Net Charge0
Average Mass856.308
Monoisotopic Mass855.70809
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,49H,6-13,15,17-19,21,23-48H2,1-5H3/b16-14-,22-20-/t49-/m1/s1
InChIKeySANJRNZKPWGLEP-FPOWPXLSSA-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-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86450) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86450) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86450) is a phosphatidylcholine O-42:2 (CHEBI:85584)
IUPAC Name 
(2R)-2-{[(13Z,16Z)-docosa-13,16-dienoyl]oxy}-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-eicosyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphocholineLIPID MAPS
PC(O-20:0/22:2(13Z,16Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020242LIPID MAPS