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 No supplier information found for this compound.
Download Molfile XML SDF
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