CHEBI:3405 - carboxin

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ChEBI Name carboxin
ChEBI ID CHEBI:3405
Definition An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts normally that is normally used as a seed treatment.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H13NO2S
Net Charge 0
Average Mass 235.30200
Monoisotopic Mass 235.067
InChI InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey GYSSRZJIHXQEHQ-UHFFFAOYSA-N
SMILES CC1=C(SCCO1)C(=O)Nc1ccccc1
Roles Classification
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of succinate dehydrogenase (quinone), EC 1.3.5.1.
fungicide
A substance used to destroy fungal pests.
(via anilide fungicide )
(via amide fungicide )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via amide antifungal agent )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via anilide fungicide )
(via amide fungicide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing carboxin (CHEBI:3405) has role antifungal agrochemical (CHEBI:86328)
carboxin (CHEBI:3405) has role EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor (CHEBI:83072)
carboxin (CHEBI:3405) is a anilide (CHEBI:13248)
carboxin (CHEBI:3405) is a anilide fungicide (CHEBI:87015)
carboxin (CHEBI:3405) is a enamide (CHEBI:51751)
carboxin (CHEBI:3405) is a organosulfur heterocyclic compound (CHEBI:38106)
carboxin (CHEBI:3405) is a oxacycle (CHEBI:38104)
carboxin (CHEBI:3405) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Synonyms Sources
2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin ChemIDplus
2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide NIST Chemistry WebBook
2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin ChemIDplus
5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide ChemIDplus
5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin ChemIDplus
5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide ChemIDplus
5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin ChemIDplus
Carbathiin ChemIDplus
Carboxine ChemIDplus
oxatin MetaCyc
Manual Xrefs Databases
122 PPDB
C11255 KEGG COMPOUND
carboxin Alan Wood's Pesticides
CBE PDBeChem
CPD0-1366 MetaCyc
LSM-25660 LINCS
View more database links
Registry Numbers Types Sources
5234-68-4 CAS Registry Number KEGG COMPOUND
5234-68-4 CAS Registry Number NIST Chemistry WebBook
5234-68-4 CAS Registry Number ChemIDplus
983249 Beilstein Registry Number ChemIDplus
983249 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21228470 PubMed citation Europe PMC
23047320 PubMed citation Europe PMC
23261124 PubMed citation Europe PMC
24119086 PubMed citation Europe PMC
24785712 PubMed citation Europe PMC
Last Modified
07 March 2018