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

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ChEBI Name 1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86161
ChEBI ASCII Name 1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 36:6 in which the acyl groups specified at positions 1 and 2 is (9Z,12Z,15Z)-octadecatrienoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H76NO8P
Net Charge 0
Average Mass 778.04990
Monoisotopic Mass 777.53086
InChI InChI=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
InChIKey XXKFQTJOJZELMD-JICBSJGISA-N
SMILES CC\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
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 36:6 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine UniProt
GPCho(18:3/18:3) HMDB
GPCho(18:3n3/18:3n3) HMDB
GPCho(18:3w3/18:3w3) HMDB
PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) LIPID MAPS
PC(18:3/18:3) HMDB
PC(18:3n3/18:3n3) HMDB
PC(18:3w3/18:3w3) HMDB
Phosphatidylcholine(18:3/18:3) HMDB
Phosphatidylcholine(18:3n3/18:3n3) HMDB
Phosphatidylcholine(18:3w3/18:3w3) HMDB
Manual Xrefs Databases
HMDB0008206 HMDB
LMGP01010956 LIPID MAPS
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Last Modified
06 May 2021