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CHEBI:190953 - 15-ketoiloprost

ChEBI IDCHEBI:190953
ChEBI Name15-ketoiloprost
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILES[H][C@@]12C/C(=C\CCCC(=O)O)C[C@]1([H])[C@@H](/C=C/C(=O)C(C)CC#CC)[C@H](O)C2
InChIInChI=1S/C22H30O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-19,21,24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,21+/m0/s1
InChIKeyLDICATDQJSBQOX-JNSFOOLWSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
15-ketoiloprost (CHEBI:190953) is a prostanoid (CHEBI:26347)
IUPAC Name 
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E)-4-methyl-3-oxooct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
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29341911ChemSpider