CHEBI:86097 - 1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86097
ChEBI ASCII Name 1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 34:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (9Z)-hexadecenoyl 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/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/b19-17-/t40-/m1/s1
InChIKey QRSPNOMDLRZDPG-QCFYSATCSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\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-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86097) has functional parent (9Z)-hexadecenoic acid (CHEBI:28716)
1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86097) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86097) is a phosphatidylcholine 34:1 (CHEBI:64517)
IUPAC Name
(2R)-2-{[(9Z)-hexadec-9-enoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Stearoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:0/16:1) LIPID MAPS
GPCho(18:0/16:1n7) LIPID MAPS
GPCho(18:0/16:1w7) LIPID MAPS
PC(18:0/16:1(9Z)) LIPID MAPS
PC(18:0/16:1) LIPID MAPS
PC(18:0/16:1n7) LIPID MAPS
PC(18:0/16:1w7) LIPID MAPS
Phosphatidylcholine(18:0/16:1) LIPID MAPS
Phosphatidylcholine(18:0/16:1n7) LIPID MAPS
Phosphatidylcholine(18:0/16:1w7) LIPID MAPS
Manual Xrefs Databases
HMDB0008035 HMDB
LMGP01010744 LIPID MAPS
View more database links
Last Modified
23 October 2015