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CHEBI:190021 - 2-O-(4,7,10,13,16,19-Docosahexaenoyl)-1-O-hexadecylglycero-3-phosphocholine

ChEBI IDCHEBI:190021
ChEBI Name2-O-(4,7,10,13,16,19-Docosahexaenoyl)-1-O-hexadecylglycero-3-phosphocholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO7P
Net Charge0
Average Mass792.136
Monoisotopic Mass791.58289
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H82NO7P/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/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3
InChIKeyQQQQNYAHSSIZBU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
2-O-(4,7,10,13,16,19-Docosahexaenoyl)-1-O-hexadecylglycero-3-phosphocholine (CHEBI:190021) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
(2-docosa-4,7,10,13,16,19-hexaenoyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
2855ChemSpider