CHEBI:183964 - 15-ketobimatoprost

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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 15-ketobimatoprost
ChEBI ID CHEBI:183964
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H35NO4
Net Charge 0
Average Mass 413.558
Monoisotopic Mass 413.25661
InChI InChI=1S/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,21-24,28-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t21-,22-,23+,24-/m1/s1
InChIKey OZCBJWOYRKMMPF-QWPROEHNSA-N
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/C(=O)CCC2=CC=CC=C2)C/C=C\CCCC(=O)NCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 15-ketobimatoprost (CHEBI:183964) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
Manual Xref Database
21467784 ChemSpider
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