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CHEBI:230866 - DG(2:0/PGE2/0:0)

ChEBI IDCHEBI:230866
ChEBI NameDG(2:0/PGE2/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O8
Net Charge0
Average Mass468.587
Monoisotopic Mass468.27232
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[C@@H](CO)COC(C)=O
InChIInChI=1S/C25H40O8/c1-3-4-7-10-19(28)13-14-22-21(23(29)15-24(22)30)11-8-5-6-9-12-25(31)33-20(16-26)17-32-18(2)27/h5,8,13-14,19-22,24,26,28,30H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t19-,20-,21+,22+,24+/m0/s1
InChIKeySLLOZRNHKAIZEL-GOBPADTJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(2:0/PGE2/0:0) (CHEBI:230866) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Manual XrefsDatabases
117216106ChemSpider
HMDB0296903HMDB