CHEBI:34112 - 1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:34112
ChEBI ASCII Name 1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine (O-16:0/18:1) in which the alkyl and the acyl groups at positions 1 and 2 are hexadecyl and oleoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Secondary ChEBI IDs CHEBI:75268, CHEBI:89906
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C42H84NO7P
Net Charge 0
Average Mass 746.09260
Monoisotopic Mass 745.59854
InChI InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1
InChIKey SIEDNCDNGMIKST-IYEJTHTFSA-N
SMILES CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
Roles Classification
Biological Role(s): Papio hamadryas metabolite
Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
(via phosphatidylcholine (O-16:0/18:1) )
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-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:34112) has functional parent lysophosphatidylcholine O-16:0/0:0 (CHEBI:64496)
1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:34112) has functional parent oleic acid (CHEBI:16196)
1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:34112) is a phosphatidylcholine (O-16:0/18:1) (CHEBI:136119)
IUPAC Names
(2R)-3-(hexadecyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
(2R)-3-(hexadecyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine LIPID MAPS
1-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine ChEBI
1-O-hexadecyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphocholine SUBMITTER
1-O-hexadecyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphocholine UniProt
1-O-hexadecyl-2-(9Z)-octadecenoyl-sn-phosphatidylcholine betaine SUBMITTER
1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine KEGG COMPOUND
1-palmityl-2-oleoyl-GPC ChEBI
1-palmityl-2-oleoyl-GPC (O-16:0/18:1) ChEBI
1-palmityl-2-oleoyl-sn-glycero-3-phosphocholine ChEBI
1-Palmityl-2-palmitoleoyl-sn-glycero-3-phosphocholine HMDB
GPC(O-16:0/18:1) ChEBI
PC O-16:0/18:1(n-9) SUBMITTER
PC(O-16:0/18:1(9Z)) LIPID MAPS
PC(O-16:0/18:1) LIPID MAPS
PC(O-32:1) HMDB
Manual Xrefs Databases
C13894 KEGG COMPOUND
HMDB0013404 HMDB
LMGP01020003 LIPID MAPS
LMGP01020003 LIPID MAPS
View more database links
Registry Numbers Types Sources
79645-38-8 CAS Registry Number ChemIDplus
9539602 Reaxys Registry Number Reaxys
9539602 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11159427 PubMed citation Europe PMC
24023812 PubMed citation Europe PMC
8014574 PubMed citation Europe PMC
9356295 PubMed citation Europe PMC
Last Modified
14 January 2021