EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145501 - thiencarbazone

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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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).
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)
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
BYH 18636 carboxylic acidChEBI
BYH-18636-carboxylic acidPPDB
GSE28226PPDB
GSE29091PPDB
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
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
Manual XrefsDatabases
thiencarbazoneAlan Wood's Pesticides
2499PPDB
Registry NumbersSources
Reaxys:23208356Reaxys
CAS:936331-72-5ChemIDplus
Citations