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CHEBI:230645 - PA(21:0/PGJ2)

ChEBI IDCHEBI:230645
ChEBI NamePA(21:0/PGJ2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H77O10P
Net Charge0
Average Mass797.064
Monoisotopic Mass796.52544
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C44H77O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30-43(47)52-36-40(37-53-55(49,50)51)54-44(48)31-27-23-22-25-28-38-32-35-42(46)41(38)34-33-39(45)29-24-6-4-2/h22,25,32-35,38-41,45H,3-21,23-24,26-31,36-37H2,1-2H3,(H2,49,50,51)/b25-22-,34-33+/t38-,39-,40+,41+/m0/s1
InChIKeyDKKUPQZABVCPQX-UFQMQDKOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(21:0/PGJ2) (CHEBI:230645) 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-phosphonooxypropyl] henicosanoate
Manual XrefsDatabases
128426888ChemSpider
HMDB0265479HMDB