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CHEBI:86251 - 1-octadecyl-2-docosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86251
ChEBI Name1-octadecyl-2-docosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecyl-2-docosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-40:0 in which the acyl groups specified at positions 1 and 2 are octadecyl and docosanoyl respectively.
Last Modified30 June 2015
Submitternamrata
DownloadsMolfile
FormulaC48H98NO7P
Net Charge0
Average Mass832.286
Monoisotopic Mass831.70809
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3/t47-/m1/s1
InChIKeyUWZMUJQZEJOLID-QZNUWAOFSA-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-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86251) has functional parent docosanoic acid (CHEBI:28941)
1-octadecyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86251) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86251) is a phosphatidylcholine O-40:0 (CHEBI:85569)
IUPAC Name 
(2R)-2-(docosanoyloxy)-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Stearyl-2-behenoyl-sn-glycero-3-phosphocholineHMDB
PC(O-18:0/22:0)LIPID MAPS
Manual XrefsDatabases
HMDB0013421HMDB
LMGP01020105LIPID MAPS