CHEBI:189884 - Tizoxanide 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 Tizoxanide glucuronide
ChEBI ID CHEBI:189884
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H15N3O10S
Net Charge 0
Average Mass 441.370
Monoisotopic Mass 441.04781
InChI InChI=1S/C16H15N3O10S/c20-9-10(21)12(14(24)25)29-15(11(9)22)28-7-4-2-1-3-6(7)13(23)18-16-17-5-8(30-16)19(26)27/h1-5,9-12,15,20-22H,(H,24,25)(H,17,18,23)/t9-,10-,11+,12-,15+/m0/s1
InChIKey UJTOVSZPBVTOMC-QKZHPOIUSA-N
SMILES S1C(NC(=O)C=2C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=CC2)=NC=C1[N+]([O-])=O
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Tizoxanide glucuronide (CHEBI:189884) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenoxy]oxane-2-carboxylic acid
Manual Xrefs Databases
8000310 ChemSpider
D02486 KEGG DRUG
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Registry Number Type Source
296777-75-8 CAS Registry Number ChemIDplus