EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H17NO5S3 |
| Net Charge | 0 |
| Average Mass | 435.548 |
| Monoisotopic Mass | 435.02689 |
| SMILES | CC(=O)c1ccc(-c2cc(NS(=O)(=O)c3ccc(C)cc3C)c(C(=O)O)s2)s1 |
| InChI | InChI=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) |
| InChIKey | CMHHNHDPPWDNAH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 |