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CHEBI:185346 - Zileuton O-glucuronide

ChEBI IDCHEBI:185346
ChEBI NameZileuton O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20N2O8S
Net Charge0
Average Mass412.420
Monoisotopic Mass412.09404
SMILESCC(c1cc2ccccc2s1)N(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
InChIInChI=1S/C17H20N2O8S/c1-7(10-6-8-4-2-3-5-9(8)28-10)19(17(18)25)27-16-13(22)11(20)12(21)14(26-16)15(23)24/h2-7,11-14,16,20-22H,1H3,(H2,18,25)(H,23,24)/t7?,11-,12-,13+,14-,16-/m0/s1
InChIKeyCYYKQHWQVGZJRJ-UPZRFPAJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Zileuton O-glucuronide (CHEBI:185346) is a carbohydrate acid derivative (CHEBI:63436)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[1-(1-benzothiophen-2-yl)ethyl-carbamoylamino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060914HMDB
35031816ChemSpider
Registry NumbersSources
CAS:141056-63-5ChemIDplus