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CHEBI:184173 - PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))

ChEBI IDCHEBI:184173
ChEBI NamePC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO7P
Net Charge0
Average Mass818.174
Monoisotopic Mass817.59854
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-
InChIKeyMSCFBKZUOGKJNH-DOWYPDBQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) (CHEBI:184173) is a diglyceride (CHEBI:18035)
IUPAC Name 
[3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767349ChemSpider
HMDB0008688HMDB