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CHEBI:231149 - DG(21:0/5-iso PGF2VI/0:0)

ChEBI IDCHEBI:231149
ChEBI NameDG(21:0/5-iso PGF2VI/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H76O8
Net Charge0
Average Mass709.062
Monoisotopic Mass708.55402
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C42H76O8/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-41(47)49-34-36(33-43)50-42(48)29-25-24-27-37-38(40(46)32-39(37)45)31-30-35(44)26-22-6-4-2/h24-25,30-31,35-40,43-46H,3-23,26-29,32-34H2,1-2H3/b25-24-,31-30+/t35-,36+,37+,38-,39+,40-/m1/s1
InChIKeyIILMMYLBQJFKNX-MOILEJPUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(21:0/5-iso PGF2VI/0:0) (CHEBI:231149) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-2-[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]oxy-3-hydroxypropyl] henicosanoate
Manual XrefsDatabases
117215730ChemSpider
HMDB0296527HMDB