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CHEBI:86454 - 1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86454
ChEBI Name1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-44:3 in which the alkyl and acyl groups specified at positions 1 and 2 are docosyl and (10Z,13Z,16Z)-docosatrienoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC52H100NO7P
Net Charge0
Average Mass882.346
Monoisotopic Mass881.72374
SMILES[H][C@@](COCCCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C52H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,51H,6-14,16,18-20,22,24-26,28,30-50H2,1-5H3/b17-15-,23-21-,29-27-/t51-/m1/s1
InChIKeyCQBVYLALIKLMGX-TYGMOWAISA-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-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86454) has functional parent (10Z,13Z,16Z)-docosatrienoic acid (CHEBI:83747)
1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86454) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86454) is a phosphatidylcholine O-44:3 (CHEBI:67085)
IUPAC Name 
(2R)-2-{[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxy}-3-(docosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-22:0/22:3(10Z,13Z,16Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020251LIPID MAPS