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CHEBI:230154 - DG(20:0/PGF1alpha/0:0)

ChEBI IDCHEBI:230154
ChEBI NameDG(20:0/PGF1alpha/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H80O8
Net Charge0
Average Mass725.105
Monoisotopic Mass724.58532
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C43H80O8/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-42(48)50-35-37(34-44)51-43(49)30-26-22-21-24-28-38-39(41(47)33-40(38)46)32-31-36(45)27-23-6-4-2/h31-32,36-41,44-47H,3-30,33-35H2,1-2H3/b32-31+/t36-,37-,38+,39+,40-,41+/m0/s1
InChIKeyOEDQASFJLDIJPI-DFSPBLMESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(20:0/PGF1alpha/0:0) (CHEBI:230154) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-hydroxypropyl] icosanoate
Manual XrefsDatabases
117215626ChemSpider
HMDB0296423HMDB