thiencarbazone (CHEBI:145501)

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ChEBI Name	thiencarbazone

ChEBI ID	CHEBI:145501

Definition	An N-sulfonylurea in which the sulfur atom is attached to a 4-carboxy-2-methylthiophen-3-yl group and in which the non-sulfonated nitrogen is substituted by a 3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl group. It is a metabolite of the herbicide, thiencarbazone-methyl.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H12N4O7S2

Net Charge

Average Mass

376.360

Monoisotopic Mass

376.01474

InChI

InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)

InChIKey

GLDAZAQRGCSFNP-UHFFFAOYSA-N

SMILES

S(NC(=O)N1C(N(C(=N1)OC)C)=O)(C2=C(SC=C2C(=O)O)C)(=O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	EC 2.2.1.6 (acetolactate synthase) inhibitor An EC 2.2.1.* (transketolase/transaldolase) inhibitor that interferes with the action of acetolactate synthase (EC 2.2.1.6). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

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

ChEBI Ontology
Outgoing	thiencarbazone (CHEBI:145501) has role agrochemical (CHEBI:33286) thiencarbazone (CHEBI:145501) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180) thiencarbazone (CHEBI:145501) has role herbicide (CHEBI:24527) thiencarbazone (CHEBI:145501) has role metabolite (CHEBI:25212) thiencarbazone (CHEBI:145501) is a N-sulfonylurea (CHEBI:76983) thiencarbazone (CHEBI:145501) is a ether (CHEBI:25698) thiencarbazone (CHEBI:145501) is a thiophenecarboxylic acid (CHEBI:48436) thiencarbazone (CHEBI:145501) is a triazoles (CHEBI:35727)

Incoming	thiencarbazone-methyl (CHEBI:145500) has functional parent thiencarbazone (CHEBI:145501)

IUPAC Name

4-[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid

Synonyms	Sources
4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methylthiophene-3-carboxylic acid	Alan Wood's Pesticides
4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-3-thiophenecarboxylic acid	Alan Wood's Pesticides
BYH 18636 carboxylic acid	ChEBI
BYH-18636-carboxylic acid	PPDB
GSE28226	PPDB
GSE29091	PPDB

Citations

Last Modified

26 November 2019