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CHEBI:86161 - 1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86161
ChEBI Name1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:6 in which the acyl groups specified at positions 1 and 2 is (9Z,12Z,15Z)-octadecatrienoyl.
Last Modified6 May 2021
Submitternamrata
DownloadsMolfile
FormulaC44H76NO8P
Net Charge0
Average Mass778.065
Monoisotopic Mass777.53086
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,42H,6-7,12-13,18-19,24-41H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
InChIKeyXXKFQTJOJZELMD-JICBSJGISA-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)
1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86161) has functional parent α-linolenic acid (CHEBI:27432)
1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86161) is a phosphatidylcholine 36:6 (CHEBI:66856)
IUPAC Name 
(2R)-2,3-bis{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
Phosphatidylcholine(18:3w3/18:3w3)HMDB
PC(18:3n3/18:3n3)HMDB
GPCho(18:3w3/18:3w3)HMDB
PC(18:3w3/18:3w3)HMDB
Phosphatidylcholine(18:3/18:3)HMDB
GPCho(18:3/18:3)HMDB
UniProt Name  Source
1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010956LIPID MAPS
HMDB0008206HMDB