asulam (CHEBI:81696)

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ChEBI Name	asulam

ChEBI ID	CHEBI:81696

Definition	A carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB3244887, eMolecules:509538, ZINC000002019346

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Formula

C8H10N2O4S

Net Charge

Average Mass

230.24100

Monoisotopic Mass

230.03613

InChI

InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)

InChIKey

VGPYEHKOIGNJKV-UHFFFAOYSA-N

SMILES

COC(=O)NS(=O)(=O)c1ccc(N)cc1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	EC 2.5.1.15 (dihydropteroate synthase) inhibitor An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of dihydropteroate synthase (EC 2.5.1.15), an enzyme that catalyzes the formation of dihydropteroate from p-aminobenzoic acid and dihydropteridine-hydroxymethyl-pyrophosphate. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	agrochemical An agrochemical is a substance that is used in agriculture or horticulture. herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	asulam (CHEBI:81696) has role agrochemical (CHEBI:33286) asulam (CHEBI:81696) has role EC 2.5.1.15 (dihydropteroate synthase) inhibitor (CHEBI:50502) asulam (CHEBI:81696) has role environmental contaminant (CHEBI:78298) asulam (CHEBI:81696) has role herbicide (CHEBI:24527) asulam (CHEBI:81696) has role xenobiotic (CHEBI:35703) asulam (CHEBI:81696) is a carbamate ester (CHEBI:23003) asulam (CHEBI:81696) is a primary amino compound (CHEBI:50994) asulam (CHEBI:81696) is a substituted aniline (CHEBI:48975) asulam (CHEBI:81696) is a sulfonamide (CHEBI:35358) asulam (CHEBI:81696) is conjugate acid of asulam(1−) (CHEBI:142669)

Incoming	asulam(1−) (CHEBI:142669) is conjugate base of asulam (CHEBI:81696)

IUPAC Name

methyl [(4-aminophenyl)sulfonyl]carbamate

Synonyms	Sources
4-Amino-benzolsulfonyl-methylcarbamat	ChemIDplus
asulame	ChemIDplus
methyl N-(4-aminobenzenesulfonyl)carbamate	ChemIDplus
methyl sulfanilylcarbamate	ChemIDplus
N¹-methoxycarbonylsulfanilamide	ChemIDplus

Last Modified

29 November 2018

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag