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CHEBI:189884 - Tizoxanide glucuronide

ChEBI IDCHEBI:189884
ChEBI NameTizoxanide glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15N3O10S
Net Charge0
Average Mass441.374
Monoisotopic Mass441.04781
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyUJTOVSZPBVTOMC-QKZHPOIUSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
D02486KEGG DRUG
8000310ChemSpider
Registry NumbersSources
CAS:296777-75-8ChemIDplus