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CHEBI:86253 - 1-eicosyl-2-docosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86253
ChEBI Name1-eicosyl-2-docosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-eicosyl-2-docosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-42:0 in which the alkyl and the acyl groups specified at positions 1 and 2 are eicosyl and docosanoyl respectively.
Last Modified30 June 2015
Submitternamrata
DownloadsMolfile
FormulaC50H102NO7P
Net Charge0
Average Mass860.340
Monoisotopic Mass859.73939
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H102NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/t49-/m1/s1
InChIKeyBJUWREINODTBMO-ANFMRNGASA-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-eicosyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86253) has functional parent docosanoic acid (CHEBI:28941)
1-eicosyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86253) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-eicosyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86253) is a phosphatidylcholine O-42:0 (CHEBI:85582)
IUPAC Name 
(2R)-2-(docosanoyloxy)-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Arachidyl-2-behenoyl-sn-glycero-3-phosphocholineHMDB
PC(O-20:0/22:0)LIPID MAPS
Manual XrefsDatabases
HMDB0013443HMDB
LMGP01020125LIPID MAPS