CHEBI:84577 - 1-palmitoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-palmitoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84577
ChEBI ASCII Name 1-palmitoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 33:1 in which the acyl groups specified at positions 1 and 2 are palmitoyl and (9Z)-heptadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C41H80NO8P
Net Charge 0
Average Mass 746.04960
Monoisotopic Mass 745.56216
InChI InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h18,20,39H,6-17,19,21-38H2,1-5H3/b20-18-/t39-/m1/s1
InChIKey ASFWPRURQHKRSL-DJEJVYNPSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCC
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 33:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-palmitoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84577) has functional parent (9Z)-heptadecenoic acid (CHEBI:84328)
1-palmitoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84577) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84577) has role mouse metabolite (CHEBI:75771)
1-palmitoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84577) is a phosphatidylcholine 33:1 (CHEBI:86472)
IUPAC Name
(2R)-2-[(9Z)-heptadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-hexadecanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine ChEBI
PC(16:0/17:1(9Z)) LIPID MAPS
PC(16:0/17:1) LIPID MAPS
Manual Xref Database
LMGP01010571 LIPID MAPS
View more database links
Last Modified
14 July 2015