CHEBI:84825 - 1-[(9Z)-octadecenyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(9Z)-octadecenyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84825
ChEBI ASCII Name 1-[(9Z)-octadecenyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-34:1 in which the alkenyl group at position 1 is (9Z)-octadecenyl and the acyl group at position 2 is hexadecanoyl.
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/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1
InChIKey IQLHTKSHLGLPMG-HFWGUVFESA-N
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
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).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine O-34:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(9Z)-octadecenyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84825) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(9Z)-octadecenyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84825) has role mouse metabolite (CHEBI:75771)
1-[(9Z)-octadecenyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84825) is a phosphatidylcholine O-34:1 (CHEBI:67076)
IUPAC Name
(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-en-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-Oleyl-2-palmitoyl-sn-glycero-3-phosphocholine HMDB
PC(O-18:1(9Z)/16:0) LIPID MAPS
PC(O-18:1/16:0) LIPID MAPS
Manual Xrefs Databases
HMDB0013426 HMDB
LMGP01020152 LIPID MAPS
View more database links
Last Modified
07 October 2016