CHEBI:31169 - N-acetylsulfamethoxazole

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ChEBI Name N-acetylsulfamethoxazole
ChEBI ID CHEBI:31169
ChEBI ASCII Name N-acetylsulfamethoxazole
Definition A sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H13N3O4S
Net Charge 0
Average Mass 295.31400
Monoisotopic Mass 295.063
InChI InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKey GXPIUNZCALHVBA-UHFFFAOYSA-N
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
Roles Classification
Biological Role(s): drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing N-acetylsulfamethoxazole (CHEBI:31169) has functional parent sulfamethoxazole (CHEBI:9332)
N-acetylsulfamethoxazole (CHEBI:31169) has functional parent sulfanilamide (CHEBI:45373)
N-acetylsulfamethoxazole (CHEBI:31169) has role drug metabolite (CHEBI:49103)
N-acetylsulfamethoxazole (CHEBI:31169) has role marine xenobiotic metabolite (CHEBI:83399)
N-acetylsulfamethoxazole (CHEBI:31169) is a isoxazoles (CHEBI:55373)
N-acetylsulfamethoxazole (CHEBI:31169) is a sulfonamide (CHEBI:35358)
IUPAC Name
N-{4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl}acetamide
Synonyms Sources
4'-((5-Methyl-3-isoxazolyl)sulfamoyl)acetanilide ChemIDplus
Acetylsulfamethoxazole KEGG COMPOUND
Gantanol (TN) KEGG DRUG
N4-Acetylsulfamethoxazole ChemIDplus
N4-Acetylsulfisomezole ChemIDplus
N4-Acetylsulfulfamethoxazole ChemIDplus
SMX-acetate ChEBI
sulfamethoxazole acetate ChEBI
Sulfisomezole-N4-acetate ChemIDplus
Manual Xrefs Databases
C13061 KEGG COMPOUND
D01601 KEGG DRUG
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Registry Numbers Types Sources
21312-10-7 CAS Registry Number ChemIDplus
21312-10-7 CAS Registry Number KEGG DRUG
285801 Beilstein Registry Number Beilstein
285801 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10843725 PubMed citation Europe PMC
15545312 PubMed citation Europe PMC
15984773 PubMed citation Europe PMC
2022750 PubMed citation Europe PMC
2040608 PubMed citation Europe PMC
21351294 PubMed citation Europe PMC
24875872 PubMed citation Europe PMC
8062495 PubMed citation Europe PMC
8807056 PubMed citation Europe PMC
Last Modified
10 November 2014
General Comment
2014-10-29 Metabolite of Sulfamethoxazole