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CHEBI:184160 - PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)

ChEBI IDCHEBI:184160
ChEBI NamePC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO7P
Net Charge0
Average Mass818.174
Monoisotopic Mass817.59854
SMILESCC/C=C\C/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\CCCCCCCCCCCCCCCC
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/h8,10,14,16,20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-,43-40-
InChIKeyFMBYBTSZVHUJMV-DIVFMYBRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0) (CHEBI:184160) is a diglyceride (CHEBI:18035)
IUPAC Name 
[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(Z)-octadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767413ChemSpider
HMDB0008752HMDB