CHEBI:86239 - 1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86239
ChEBI ASCII Name 1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-36:0 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and octadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H90NO7P
Net Charge 0
Average Mass 776.16170
Monoisotopic Mass 775.64549
InChI InChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1
InChIKey BKEDGKIMIUGHDV-VZUYHUTRSA-N
SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
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 O-36:0 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86239) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86239) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86239) is a phosphatidylcholine O-36:0 (CHEBI:67067)
IUPAC Name
(2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Stearyl-2-stearoyl-sn-glycero-3-phosphocholine HMDB
PC(O-18:0/18:0) LIPID MAPS
Manual Xrefs Databases
HMDB0013417 HMDB
LMGP01020091 LIPID MAPS
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Last Modified
30 June 2015