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

ChEBI IDCHEBI:86239
ChEBI Name1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-36:0 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and octadecanoyl respectively.
Last Modified30 June 2015
Submitternamrata
DownloadsMolfile
FormulaC44H90NO7P
Net Charge0
Average Mass776.178
Monoisotopic Mass775.64549
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyBKEDGKIMIUGHDV-VZUYHUTRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
PC(O-18:0/18:0)LIPID MAPS
1-Stearyl-2-stearoyl-sn-glycero-3-phosphocholineHMDB
Manual XrefsDatabases
LMGP01020091LIPID MAPS
HMDB0013417HMDB