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CHEBI:230925 - DG(8:0/PGJ2/0:0)

ChEBI IDCHEBI:230925
ChEBI NameDG(8:0/PGJ2/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O7
Net Charge0
Average Mass534.734
Monoisotopic Mass534.35565
SMILESCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C31H50O7/c1-3-5-7-8-13-17-30(35)37-24-27(23-32)38-31(36)18-14-10-9-12-15-25-19-22-29(34)28(25)21-20-26(33)16-11-6-4-2/h9,12,19-22,25-28,32-33H,3-8,10-11,13-18,23-24H2,1-2H3/b12-9-,21-20+/t25-,26-,27-,28+/m0/s1
InChIKeyQROAJQLRSDWPIT-KHLWWLAZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(8:0/PGJ2/0:0) (CHEBI:230925) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-3-hydroxy-2-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropyl] octanoate
Manual XrefsDatabases
117216330ChemSpider
HMDB0297127HMDB