CHEBI:86171 - 1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86171
ChEBI ASCII Name 1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are eicosanoyl and (9Z)-octadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C46H90NO8P
Net Charge 0
Average Mass 816.18250
Monoisotopic Mass 815.64041
InChI InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1
InChIKey IKNYBQRADNMEDT-FHLWKLDVSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
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 38:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86171) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86171) has functional parent oleic acid (CHEBI:16196)
1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86171) is a phosphatidylcholine 38:1 (CHEBI:66860)
IUPAC Name
(2R)-3-(icosanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Arachidonyl-2-oleoyl-sn-glycero-3-phosphocholine HMDB
GPCho(20:0/18:1) HMDB
GPCho(20:0/18:1n9) HMDB
GPCho(20:0/18:1w9) HMDB
PC(20:0/18:1(9Z)) LIPID MAPS
PC(20:0/18:1) HMDB
PC(20:0/18:1n9) HMDB
PC(20:0/18:1w9) HMDB
Phosphatidylcholine(20:0/18:1) HMDB
Phosphatidylcholine(20:0/18:1n9) HMDB
Phosphatidylcholine(20:0/18:1w9) HMDB
Manual Xrefs Databases
HMDB0008269 HMDB
LMGP01011010 LIPID MAPS
View more database links
Last Modified
25 June 2015