EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231106 - DG(PGF2alpha/2:0/0:0)

ChEBI IDCHEBI:231106
ChEBI NameDG(PGF2alpha/2:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42O8
Net Charge0
Average Mass470.603
Monoisotopic Mass470.28797
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)OC[C@H](CO)OC(C)=O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C25H42O8/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)32-17-20(16-26)33-18(2)27/h5,8,13-14,19-24,26,28-30H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5+,14-13+/t19-,20-,21+,22+,23-,24+/m0/s1
InChIKeyRUZPNRMOSZAQFM-VGIZRWFNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(PGF2alpha/2:0/0:0) (CHEBI:231106) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-2-acetyloxy-3-hydroxypropyl] (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
Manual XrefsDatabases
HMDB0296916HMDB
117216119ChemSpider