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CHEBI:230209 - PC(20:0/PGJ2)

ChEBI IDCHEBI:230209
ChEBI NamePC(20:0/PGJ2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H86NO10P
Net Charge0
Average Mass868.187
Monoisotopic Mass867.59893
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C48H86NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-32-47(52)56-40-44(41-58-60(54,55)57-39-38-49(3,4)5)59-48(53)33-29-25-24-27-30-42-34-37-46(51)45(42)36-35-43(50)31-26-9-7-2/h24,27,34-37,42-45,50H,6-23,25-26,28-33,38-41H2,1-5H3/b27-24-,36-35+/t42-,43-,44+,45+/m0/s1
InChIKeyZFISBSKLRJUFNT-ZQXSLXGXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(20:0/PGJ2) (CHEBI:230209) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0286966HMDB
128425454ChemSpider