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CHEBI:228529 - Bicyclo Prostaglandin E2

ChEBI IDCHEBI:228529
ChEBI NameBicyclo Prostaglandin E2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCC1C(=O)CCC2C(C/C=C/CCCC(=O)O)C(=O)CC12
InChIInChI=1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4+
InChIKeyCGCZPIJMGKLVTQ-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
Bicyclo Prostaglandin E2 (CHEBI:228529) is a prostanoid (CHEBI:26347)
IUPAC Name 
(E)-7-(4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl)hept-5-enoic acid
Manual XrefsDatabases
4942849ChemSpider
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