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CHEBI:184913 - 15R-PGE2 methyl ester

ChEBI IDCHEBI:184913
ChEBI Name15R-PGE2 methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILESCCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC
InChIInChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18-,20-/m1/s1
InChIKeyWGCXTGBZBFBQPP-KKUAIEMYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
15R-PGE2 methyl ester (CHEBI:184913) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Manual XrefsDatabases
4446213ChemSpider
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