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CHEBI:231171 - DG(19:0/PGF2alpha/0:0)

ChEBI IDCHEBI:231171
ChEBI NameDG(19:0/PGF2alpha/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H76O8
Net Charge0
Average Mass709.062
Monoisotopic Mass708.55402
SMILESCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C42H76O8/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-41(47)49-34-36(33-43)50-42(48)29-25-21-20-23-27-37-38(40(46)32-39(37)45)31-30-35(44)26-22-6-4-2/h20,23,30-31,35-40,43-46H,3-19,21-22,24-29,32-34H2,1-2H3/b23-20+,31-30+/t35-,36-,37+,38+,39-,40+/m0/s1
InChIKeyGMCJLTVWKCAHGK-SZSMQCKJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(19:0/PGF2alpha/0:0) (CHEBI:231171) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-2-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-hydroxypropyl] nonadecanoate
Manual XrefsDatabases
117215286ChemSpider
HMDB0296083HMDB