CHEBI:184837 - Ketotifen-N-glucuronide

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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 Ketotifen-N-glucuronide
ChEBI ID CHEBI:184837
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H27NO7S
Net Charge 0
Average Mass 485.550
Monoisotopic Mass 485.15082
InChI InChI=1S/C25H27NO7S/c1-26(24-21(30)19(28)20(29)22(33-24)25(31)32)9-6-13(7-10-26)18-15-5-3-2-4-14(15)12-17(27)23-16(18)8-11-34-23/h2-5,8,11,19-22,24,28-30H,6-7,9-10,12H2,1H3/b18-13-
InChIKey WLTPAELNPGRIGG-AQTBWJFISA-N
SMILES S1C2=C(\C(=C/3\CC[N+](C4OC(C(O)C(O)C4O)C([O-])=O)(CC3)C)\C=5C(CC2=O)=CC=CC5)C=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Ketotifen-N-glucuronide (CHEBI:184837) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name
3,4,5-trihydroxy-6-[1-methyl-4-(8-oxo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-ium-1-yl]oxane-2-carboxylate