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CHEBI:231165 - DG(21:0/6 keto-PGF1alpha/0:0)

ChEBI IDCHEBI:231165
ChEBI NameDG(21:0/6 keto-PGF1alpha/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H80O9
Net Charge0
Average Mass753.115
Monoisotopic Mass752.58023
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C44H80O9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-43(50)52-35-38(34-45)53-44(51)29-25-24-27-37(47)32-40-39(41(48)33-42(40)49)31-30-36(46)26-22-6-4-2/h30-31,36,38-42,45-46,48-49H,3-29,32-35H2,1-2H3/b31-30+/t36-,38-,39+,40+,41+,42-/m0/s1
InChIKeySVEVBBSSGPJNHL-KWGGFZJVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(21:0/6 keto-PGF1alpha/0:0) (CHEBI:231165) 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]-6-oxoheptanoyl]oxy-3-hydroxypropyl] henicosanoate
Manual XrefsDatabases
117215698ChemSpider
HMDB0296495HMDB