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CHEBI:145501 - thiencarbazone

Default Structure
ChEBI IDCHEBI:145501
ChEBI Namethiencarbazone
Stars
DefinitionAn 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.
Last Modified26 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC11H12N4O7S2
Net Charge0
Average Mass376.372
Monoisotopic Mass376.01474
SMILESCOc1nn(C(=O)NS(=O)(=O)c2c(C(=O)O)csc2C)c(=O)n1C
InChIInChI=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)
InChIKeyGLDAZAQRGCSFNP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
Applications:
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-3-thiophenecarboxylic acidAlan Wood's Pesticides
4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methylthiophene-3-carboxylic acidAlan Wood's Pesticides
BYH 18636 carboxylic acidChEBI
BYH-18636-carboxylic acidPPDB
GSE28226PPDB
GSE29091PPDB
Manual XrefsDatabases
2499PPDB
thiencarbazoneAlan Wood's Pesticides
Registry NumbersSources
Reaxys:23208356Reaxys
CAS:936331-72-5ChemIDplus
Citations