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ChEBI
> Main
CHEBI:39091 - acrinathrin
Main
ChEBI Ontology
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ChEBI Name
acrinathrin
ChEBI ID
CHEBI:39091
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H21F6NO5
Net Charge
0
Average Mass
541.43910
Monoisotopic Mass
541.13239
InChI
InChI=1S/C26H21F6NO5/c1-
24(2)
18(11-
12-
20(34)
38-
23(25(27,28)
29)
26(30,31)
32)
21(24)
22(35)
37-
19(14-
33)
15-
7-
6-
10-
17(13-
15)
36-
16-
8-
4-
3-
5-
9-
16/h3-
13,18-
19,21,23H,1-
2H3/b12-
11-
/t18-
,19+,21-
/m0/s1
InChIKey
YLFSVIMMRPNPFK-WEQBUNFVSA-N
SMILES
CC1(C)[C@@H](\C=C/C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Roles Classification
Biological Role
(s):
pyrethroid ester insecticide
Application
(s):
pyrethroid ester acaricide
pyrethroid ester insecticide
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
acrinathrin (
CHEBI:39091
)
has functional parent
diphenyl ether (
CHEBI:39258
)
acrinathrin (
CHEBI:39091
)
has role
pyrethroid ester acaricide (
CHEBI:39259
)
acrinathrin (
CHEBI:39091
)
has role
pyrethroid ester insecticide (
CHEBI:39116
)
acrinathrin (
CHEBI:39091
)
is a
cyclopropanecarboxylate ester (
CHEBI:50351
)
acrinathrin (
CHEBI:39091
)
is a
organofluorine compound (
CHEBI:37143
)
IUPAC Name
(
S
)-
cyano(3-
phenoxyphenyl)methyl (1
R
,3
S
)-
2,2-
dimethyl-
3-
{(1
Z
)-
3-
oxo-
3-
[2,2,2-
trifluoro-
1-
(trifluoromethyl)ethoxy]prop-
1-
en-
1-
yl}cyclopropanecarboxylate
Synonym
Source
Acrinathrin
ChemIDplus
Manual Xrefs
Databases
16
PPDB
C18408
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
101007-06-1
CAS Registry Number
KEGG COMPOUND
101007-06-1
CAS Registry Number
ChemIDplus
9301805
Beilstein Registry Number
Beilstein
Last Modified
28 July 2014