CHEBI:86117 - 1-octadecanoyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecanoyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86117
ChEBI ASCII Name 1-octadecanoyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 36:3 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (6Z,9Z,12Z)-octadecatrienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H82NO8P
Net Charge 0
Average Mass 784.09750
Monoisotopic Mass 783.57781
InChI InChI=1S/C44H82NO8P/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/h15,17,21,23,27,29,42H,6-14,16,18-20,22,24-26,28,30-41H2,1-5H3/b17-15-,23-21-,29-27-/t42-/m1/s1
InChIKey KJVJKBRMUDGTKA-NZXQIXPOSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 36:3 )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via gamma-linolenic acid )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via gamma-linolenic acid )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via gamma-linolenic acid )
algal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
(via linolenic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecanoyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86117) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86117) is a γ-linolenic acid (CHEBI:28661)
1-octadecanoyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86117) is a phosphatidylcholine 36:3 (CHEBI:64523)
IUPAC Name
(2R)-3-(octadecanoyloxy)-2-{[(6Z,9Z,12ZZ)-octadeca-6,9,12-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Stearoyl-2-g-linolenoyl-sn-glycero-3-phosphocholine HMDB
1-Stearoyl-2-gamma-linolenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:0/18:3) HMDB
GPCho(18:0/18:3n6) HMDB
GPCho(18:0/18:3w6) HMDB
PC(18:0/18:3(6Z,9Z,12Z)) LIPID MAPS
PC(18:0/18:3) HMDB
PC(18:0/18:3n6) HMDB
PC(18:0/18:3w6) HMDB
Phosphatidylcholine(18:0/18:3) HMDB
Phosphatidylcholine(18:0/18:3n6) HMDB
Phosphatidylcholine(18:0/18:3w6) HMDB
Manual Xrefs Databases
HMDB0008040 HMDB
LMGP01011588 LIPID MAPS
View more database links
Last Modified
23 October 2015