CHEBI:228552 - SNH

ChEBI IDCHEBI:228552
ChEBI NameSNH
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17NO5S3
Net Charge0
Average Mass435.548
Monoisotopic Mass435.02689
SMILESCC(=O)c1ccc(-c2cc(NS(=O)(=O)c3ccc(C)cc3C)c(C(=O)O)s2)s1
InChIInChI=1S/C19H17NO5S3/c1-10-4-7-17(11(2)8-10)28(24,25)20-13-9-16(27-18(13)19(22)23)15-6-5-14(26-15)12(3)21/h4-9,20H,1-3H3,(H,22,23)
InChIKeyCMHHNHDPPWDNAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
SNH (CHEBI:228552) is a ring assembly (CHEBI:36820)
SNH (CHEBI:228552) is a thiophenes (CHEBI:26961)
IUPAC Name 
5-(5-acetylthiophen-2-yl)-3-[(2,4-dimethylphenyl)sulonylamino]thiophene-2-carboxylic acid
Manual XrefsDatabases
7822448ChemSpider
DB08556DrugBank
SNHPDBeChem