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CHEBI:86243 - 1-hexadecyl-2-docosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86243
ChEBI Name1-hexadecyl-2-docosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-docosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-38:0 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and docosanoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC46H94NO7P
Net Charge0
Average Mass804.232
Monoisotopic Mass803.67679
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1
InChIKeyBIIIEBBIUJYGBZ-WBVITSLISA-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-hexadecyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86243) has functional parent docosanoic acid (CHEBI:28941)
1-hexadecyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86243) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86243) is a phosphatidylcholine O-38:0 (CHEBI:67071)
IUPAC Name 
(2R)-2-(docosanoyloxy)-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Palmityl-2-behenoyl-sn-glycero-3-phosphocholineHMDB
PC(O-16:0/22:0)LIPID MAPS
Manual XrefsDatabases
HMDB0013408HMDB
LMGP01020060LIPID MAPS