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CHEBI:193209 - Bicyclo Prostaglandin E1

ChEBI IDCHEBI:193209
ChEBI NameBicyclo Prostaglandin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILES[H][C@]12CCC(=O)C(CCCC)[C@@]1([H])CC(=O)C2CCCCCCC(=O)O
InChIInChI=1S/C20H32O4/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/h14-17H,2-13H2,1H3,(H,23,24)/t14-,15?,16?,17+/m1/s1
InChIKeySMKXBJMWSIFUAU-VXLLPVPCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Bicyclo Prostaglandin E1 (CHEBI:193209) is a prostanoid (CHEBI:26347)
IUPAC Name 
7-[(3aS,7aS)-4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]heptanoic acid