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CHEBI:185148 - 15R-PGE2 methyl ester, 15-acetate

ChEBI IDCHEBI:185148
ChEBI Name15R-PGE2 methyl ester, 15-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O6
Net Charge0
Average Mass408.535
Monoisotopic Mass408.25119
SMILESCCCCC[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)OC(C)=O
InChIInChI=1S/C23H36O6/c1-4-5-8-11-18(29-17(2)24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-20,22,26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19-,20-,22-/m1/s1
InChIKeyIDRDPQADACSXNY-ZQGVEFHQSA-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, 15-acetate (CHEBI:185148) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3-acetyloxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate
Manual XrefsDatabases
LMFA03010201LIPID MAPS
24822070ChemSpider