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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:40290 - DAS869
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ChEBI Ontology
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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
Supplier Information
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Molfile
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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.
View more via ChEBI Ontology
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-
1
H
-
pyrazol-
4-
yl)[4'-
methoxy-
2-
methyl-
6-
(methanesulfonyl)biphenyl-
3-
yl]methanone
Manual Xref
Database
869
PDBeChem
View more database links
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].