CHEBI:81696 - asulam

ChEBI IDCHEBI:81696
ChEBI Nameasulam
Stars
DefinitionA 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.
Last Modified29 November 2018
DownloadsMolfile
FormulaC8H10N2O4S
Net Charge0
Average Mass230.245
Monoisotopic Mass230.03613
SMILESCOC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=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)
InChIKeyVGPYEHKOIGNJKV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Biological Roles:
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.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
asulam(1−) (CHEBI:142669) is conjugate base of asulam (CHEBI:81696)
IUPAC Name 
methyl [(4-aminophenyl)sulfonyl]carbamate
Synonyms  Source
methyl sulfanilylcarbamateChemIDplus
methyl N-(4-aminobenzenesulfonyl)carbamateChemIDplus
asulameChemIDplus
N1-methoxycarbonylsulfanilamideChemIDplus
4-Amino-benzolsulfonyl-methylcarbamatChemIDplus
Manual XrefsDatabases
C18350KEGG COMPOUND
AsulamWikipedia
asulamAlan Wood's Pesticides
CN101704771Patent
CN101492401Patent
1551PPDB
BE622214Patent
Registry NumbersSources
Reaxys:2697523Reaxys
CAS:3337-71-1KEGG COMPOUND
CAS:3337-71-1NIST Chemistry WebBook
CAS:3337-71-1ChemIDplus
Citations