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CHEBI:230843 - PA(17:0/PGJ2)

ChEBI IDCHEBI:230843
ChEBI NamePA(17:0/PGJ2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H69O10P
Net Charge0
Average Mass740.956
Monoisotopic Mass740.46284
SMILESCCCCCCCCCCCCCCCCC(=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/C40H69O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-26-39(43)48-32-36(33-49-51(45,46)47)50-40(44)27-23-19-18-21-24-34-28-31-38(42)37(34)30-29-35(41)25-20-6-4-2/h18,21,28-31,34-37,41H,3-17,19-20,22-27,32-33H2,1-2H3,(H2,45,46,47)/b21-18-,30-29+/t34-,35-,36+,37+/m0/s1
InChIKeySKAPUOWURAXOCS-MWFDQBQISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(17:0/PGJ2) (CHEBI:230843) 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] heptadecanoate
Manual XrefsDatabases
128426546ChemSpider
HMDB0263505HMDB