CHEBI:193209 - Bicyclo Prostaglandin E1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bicyclo Prostaglandin E1
ChEBI ID CHEBI:193209
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=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
InChIKey SMKXBJMWSIFUAU-VXLLPVPCSA-N
SMILES O=C1C([C@@]2([C@@](C(C(=O)CC2)CCCC)(C1)[H])[H])CCCCCCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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