CHEBI:40290 - DAS869

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ChEBI Name DAS869
ChEBI ID CHEBI:40290
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40285, CHEBI:38302
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Formula C23H26N2O5S
Net Charge 0
Average Mass 442.530
Monoisotopic Mass 442.15624
InChI InChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27H,1-6H3
InChIKey AVFXBZIGDFPGBY-UHFFFAOYSA-N
SMILES C1=C(C(=C(C(=C1)C(=O)C2=C(N(N=C2)C(C)(C)C)O)C)C3=CC=C(C=C3)OC)S(=O)(=O)C
Roles Classification
Biological Role(s): EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27).
Application(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing DAS869 (CHEBI:40290) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
DAS869 (CHEBI:40290) has role herbicide (CHEBI:24527)
DAS869 (CHEBI:40290) is a benzoylpyrazole (CHEBI:38318)
IUPAC Name
(1-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)[4'-methoxy-2-methyl-6-(methanesulfonyl)biphenyl-3-yl]methanone
Manual Xref Database
869 PDBeChem
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Last Modified
21 November 2019
General Comment
2007-05-17 Experimental herbicide from the Dow AgroSciences collection [see Yeng C. et al. (2004) Biochemistry, 43, 10414-10423].