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CHEBI:231155 - DG(PGJ2/14:0/0:0)

ChEBI IDCHEBI:231155
ChEBI NameDG(PGJ2/14:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H62O7
Net Charge0
Average Mass618.896
Monoisotopic Mass618.44955
SMILESCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C37H62O7/c1-3-5-7-8-9-10-11-12-13-14-20-24-37(42)44-33(29-38)30-43-36(41)23-19-16-15-18-21-31-25-28-35(40)34(31)27-26-32(39)22-17-6-4-2/h15,18,25-28,31-34,38-39H,3-14,16-17,19-24,29-30H2,1-2H3/b18-15-,27-26+/t31-,32-,33-,34+/m0/s1
InChIKeyCGTGJUMBRHYXID-OWXIBXKPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(PGJ2/14:0/0:0) (CHEBI:231155) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropan-2-yl] tetradecanoate
Manual XrefsDatabases
HMDB0295094HMDB
117214297ChemSpider