CHEBI:84798 - 1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine

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ChEBI Name 1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84798
ChEBI ASCII Name 1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 32:2 in which the acyl group at both positions 1 and 2 is (9E)-hexadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H76NO8P
Net Charge 0
Average Mass 730.00710
Monoisotopic Mass 729.53086
InChI InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,38H,6-15,20-37H2,1-5H3/b18-16+,19-17+/t38-/m1/s1
InChIKey GPWHCUUIQMGELX-SGZUMCNSSA-N
SMILES CCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCC
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 32:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84798) has role mouse metabolite (CHEBI:75771)
1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84798) is a phosphatidylcholine 32:2 (CHEBI:66848)
IUPAC Name
(2R)-2,3-bis[(9E)-hexadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
PC(16:1(9E)/16:1(9E)) LIPID MAPS
PC(16:1/16:1) LIPID MAPS
Manual Xref Database
LMGP01010682 LIPID MAPS
View more database links
Last Modified
13 February 2015