CHEBI:86444 - 1-octadecyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86444
ChEBI ASCII Name 1-octadecyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-40:2 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (13Z,16Z)-docosadienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C48H94NO7P
Net Charge 0
Average Mass 828.23620
Monoisotopic Mass 827.67679
InChI InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,47H,6-13,15,17-19,21,23-46H2,1-5H3/b16-14-,22-20-/t47-/m1/s1
InChIKey UIDFMPCXGKSHLC-UTCVCSSLSA-N
SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC
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 O-40:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86444) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-octadecyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86444) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86444) is a phosphatidylcholine O-40:2 (CHEBI:72348)
IUPAC Name
(2R)-2-{[(13Z,16Z)-docosa-13,16-dienoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
PC(O-18:0/22:2(13Z,16Z)) LIPID MAPS
Manual Xref Database
LMGP01020214 LIPID MAPS
View more database links
Last Modified
13 July 2015