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CHEBI:86210 - 1-docosanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86210
ChEBI Name1-docosanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-docosanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 42:0 in which the acyl groups specified at positions 1 and 2 are docosanoyl and eicosanoyl respectively.
Last Modified29 June 2015
Submitternamrata
DownloadsMolfile
FormulaC50H100NO8P
Net Charge0
Average Mass874.323
Monoisotopic Mass873.71866
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
InChIKeyBBKWJNNMTSKJKD-QSCHNALKSA-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-docosanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86210) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86210) has functional parent icosanoic acid (CHEBI:28822)
1-docosanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86210) is a phosphatidylcholine 42:0 (CHEBI:66971)
IUPAC Name 
(2R)-3-(docosanoyloxy)-2-(icosanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Behenoyl-2-arachidonyl-sn-glycero-3-phosphocholineHMDB
GPCho(22:0/20:0)HMDB
PC(22:0/20:0)HMDB
Phosphatidylcholine(22:0/20:0)HMDB
Manual XrefsDatabases
HMDB0008537HMDB
LMGP01011994LIPID MAPS