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CHEBI:230979 - DG(2:0/PGF1alpha/0:0)

ChEBI IDCHEBI:230979
ChEBI NameDG(2:0/PGF1alpha/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H44O8
Net Charge0
Average Mass472.619
Monoisotopic Mass472.30362
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O[C@@H](CO)COC(C)=O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C25H44O8/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/h13-14,19-24,26,28-30H,3-12,15-17H2,1-2H3/b14-13+/t19-,20-,21+,22+,23-,24+/m0/s1
InChIKeyKYJGQXDHRCBHMY-ZXHCVCMNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(2:0/PGF1alpha/0:0) (CHEBI:230979) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoate
Manual XrefsDatabases
HMDB0297047HMDB
117216250ChemSpider