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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81866 - Pyraclonil
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ChEBI Ontology
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ChEBI Name
Pyraclonil
ChEBI ID
CHEBI:81866
Stars
This entity has been manually annotated by a third party.
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Formula
C15H15ClN6
Net Charge
0
Average Mass
314.77300
Monoisotopic Mass
314.10467
InChI
InChI=1S/C15H15ClN6/c1-
3-
7-
20(2)
15-
11(9-
17)
10-
18-
22(15)
14-
13(16)
12-
6-
4-
5-
8-
21(12)
19-
14/h1,10H,4-
8H2,2H3
InChIKey
IHHMUBRVTJMLQO-UHFFFAOYSA-N
SMILES
CN(CC#C)c1c(cnn1-c1nn2CCCCc2c1Cl)C#N
Roles Classification
Biological Role
(s):
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor
An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
Application
(s):
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Pyraclonil (
CHEBI:81866
)
has role
agrochemical (
CHEBI:33286
)
Pyraclonil (
CHEBI:81866
)
has role
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (
CHEBI:73192
)
Pyraclonil (
CHEBI:81866
)
has role
herbicide (
CHEBI:24527
)
Pyraclonil (
CHEBI:81866
)
is a
biaryl (
CHEBI:64459
)
Pyraclonil (
CHEBI:81866
)
is a
nitrile (
CHEBI:18379
)
Pyraclonil (
CHEBI:81866
)
is a
organochlorine compound (
CHEBI:36683
)
Pyraclonil (
CHEBI:81866
)
is a
terminal acetylenic compound (
CHEBI:73477
)
Manual Xrefs
Databases
1166
PPDB
C18613
KEGG COMPOUND
View more database links
Registry Number
Type
Source
158353-15-2
CAS Registry Number
KEGG COMPOUND
Last Modified
17 August 2017