CHEBI:85037 - 1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:85037
ChEBI ASCII Name 1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 11Z-octadecenoyl (cis-vaccenoyl) respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H82NO8P
Net Charge 0
Average Mass 760.07610
Monoisotopic Mass 759.57781
InChI InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,40H,6-15,17,19-39H2,1-5H3/b18-16-/t40-/m1/s1
InChIKey AEPVLLKGEBHLEJ-KWNHIAGJSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC
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 34:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:85037) has functional parent cis-vaccenic acid (CHEBI:50464)
1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:85037) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:85037) is a phosphatidylcholine 34:1 (CHEBI:64517)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine LIPID MAPS
1-Palmitoyl-2-vaccenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(16:0/18:1) HMDB
PC(16:0/18:1(11Z)) HMDB
Manual Xrefs Databases
HMDB0007971 HMDB
LMGP01010576 LIPID MAPS
View more database links
Last Modified
23 October 2015