CHEBI:84826 - 1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84826
ChEBI ASCII Name 1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
Definition A 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine in which the alkenyl group at position 1 is (1Z)-octadecenyl and the acyl group at position 2 is hexadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H84NO7P
Net Charge 0
Average Mass 746.09260
Monoisotopic Mass 745.59854
InChI InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-/t41-/m1/s1
InChIKey OIICTMOQBYZCDA-IIKIFWEUSA-N
SMILES CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84826) has functional parent hexadecanoic acid (CHEBI:15756)
1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84826) has role mouse metabolite (CHEBI:75771)
1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84826) is a 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine (CHEBI:17810)
IUPAC Name
(2R)-2-(hexadecanoyloxy)-3-[(1Z)-octadec-1-en-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonym Source
PC(P-18:0/16:0) LIPID MAPS
Manual Xref Database
LMGP01030052 LIPID MAPS
View more database links
Last Modified
14 July 2015