MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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fenvalerate

	Properties	Image
MNX_ID	MNXM53263
reference	chebi:5014
formula	C₂₅H₂₂ClNO₃
global charge	0
mol weight	419.908
InChIKey	NYPJDWWKZLNGGM-UHFFFAOYSA-N
InChI	InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
SMILES	CC(C)C(C(=O)OC(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1)C1=CC=C(Cl)C=C1

MNX internals

InChI (mnx)	InChI=1/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23?,24?
SMILES (mnx)	[CH3:1][CH:17]([CH3:2])[CH:24]([C:18]1=[CH:12][CH:14]=[C:20]([Cl:26])[CH:13]=[CH:11]1)[C:25](=[O:28])[O:30][CH:23]([C:16]#[N:27])[C:19]1=[CH:15][C:22]([O:29][C:21]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)=[CH:10][CH:6]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5014 chebi:5014 NYPJDWWKZLNGGM-UHFFFAOYSA-N	fenvalerate Fenvalerate Pydrin alpha-cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetate alpha-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate alpha-cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrate cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate phenvalerate
kegg.drug:D07952 keggD:D07952 NYPJDWWKZLNGGM-UHFFFAOYSA-N	Fenvalerate (BAN) Acadrex (TN)
hmdb:HMDB0031791 NYPJDWWKZLNGGM-UHFFFAOYSA-N	Fenvalerate Acadrex Agrofen Aqmatrine Asana Belmark Ectrin Esfenvalerate Evercide 2362 Fenaxin Fenkem Fenkill Fenoxin Fenval Fenvalarate Fenvaleric acid Phenoxin Phenvalerate Phenvaleric acid Pydrin Pydrin, (R-(r,r))-isomer Pydrin, (R-(r,s))-isomer Pydrin, (S-(r,r))-isomer Pydrin, (S-(r,s))-isomer Sumi-alpha Sumicidin a-Cyano-(3-phenoxyphenyl)methyl-4-chloro-a-(1-methylethyl)benzeneacetate a-Cyano-(3-phenoxyphenyl)methyl-4-chloro-a-(1-methylethyl)benzeneacetic acid a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyric acid a-Cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrate a-Cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyric acid alpha-Cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetate alpha-Cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetic acid alpha-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate alpha-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyric acid alpha-Cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrate alpha-Cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyric acid alpha-cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetate alpha-cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetic acid alpha-cyano-3-Phenoxybenzyl 2-(4-chlorophenyl)-3- methylbutyrate alpha-cyano-3-Phenoxybenzyl 2-(4-chlorophenyl)isovalerate alpha-cyano-3-Phenoxybenzyl alpha-isopropyl-4-chlorophenyl acetate alpha-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate alpha-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyric acid alpha-cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrate alpha-cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyric acid cyano(3-Phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate, 9ci cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate tirade
sabiork.compound:13069 sabiorkM:13069 kegg.compound:C10988 keggC:C10988 NYPJDWWKZLNGGM-UHFFFAOYSA-N	Fenvalerate Pydrin
seed.compound:cpd07873 seedM:cpd07873 NYPJDWWKZLNGGM-UHFFFAOYSA-N	Pydrin Fenvalerate
envipath:...12e94dc9ff76 envipathM:...12e94dc9ff76 NYPJDWWKZLNGGM-UHFFFAOYSA-N	compound 0110498
hmdb:HMDB31791 keggC:M_C10988 keggD:M_D07952 seedM:M_cpd07873	secondary/obsolete/fantasy identifier