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

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cypermethrin

	Properties	Image
MNX_ID	MNXM724528
reference	chebi:4042
formula	C₂₂H₁₉Cl₂NO₃
global charge	0
mol weight	416.304
InChIKey	KAATUXNTWXVJKI-UHFFFAOYSA-N
InChI	InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
SMILES	CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18?,20?
SMILES (mnx)	[CH3:1][C:22]1([CH3:2])[CH:17]([CH:12]=[C:19]([Cl:23])[Cl:24])[CH:20]1[C:21](=[O:26])[O:28][CH:18]([C:13]#[N:25])[C:14]1=[CH:11][C:16]([O:27][C:15]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)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4042 chebi:4042 KAATUXNTWXVJKI-UHFFFAOYSA-N	cypermethrin Cypermethrin alpha-Cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate cyano(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
envipath:...38888b9a9ada envipathM:...38888b9a9ada KAATUXNTWXVJKI-UHFFFAOYSA-N	"Spikecompound 00001" Spikecompound 00001
hmdb:HMDB0243566 KAATUXNTWXVJKI-UHFFFAOYSA-N	(1S,3S)-(R)-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate (1S,3S)-(R)-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid Alphacypermethrin Alphamethrin Cymbush Cypermethrin, (1R-(1alpha(r),3beta))-isomer Cypermethrin, (1R-(1alpha(s),3beta))-isomer Cypermethrin, (1alpha(s*),3alpha)-(+-)-isomer Fastac Fastac 50Ec Fendona NRDC 149 Ripcord Sherpa Supercypermethrin Supermethrin Zetagard a-Cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate a-Cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid alpha-Cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate alpha-Cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid alpha-Cypermethrin alpha-cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate alpha-cyano(3-phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid beta-Cipermetrina cyano(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate ustaad
envipath:...2d42e09f996f envipathM:...2d42e09f996f KAATUXNTWXVJKI-UHFFFAOYSA-N	Beta-cypermethrin
envipath:...cde223579a37 envipathM:...cde223579a37 KAATUXNTWXVJKI-UHFFFAOYSA-N	Beta-cypermethrin Beta-cypermethrin, mixture of isomers Zeta-cypermethrin (WL 43481, WL 42641)
envipath:...e9e054e7b857 envipathM:...e9e054e7b857 seed.compound:cpd07869 seedM:cpd07869 sabiork.compound:13065 sabiorkM:13065 kegg.compound:C10984 keggC:C10984 KAATUXNTWXVJKI-UHFFFAOYSA-N	Cypermethrin
kegg.drug:D07763 keggD:D07763 KAATUXNTWXVJKI-UHFFFAOYSA-N	Cypermethrin (BAN) Zetagard (TN)
envipath:...cc23fbb76241 envipathM:...cc23fbb76241 KAATUXNTWXVJKI-UHFFFAOYSA-N	Spike compound 0000001
envipath:...9f203df8eb8f envipathM:...9f203df8eb8f KAATUXNTWXVJKI-UHFFFAOYSA-N	Spike compound 0000001 "Spike compound 0000001"
envipath:...e49cd659c203 envipathM:...e49cd659c203 envipath:...c00ee7c8088f envipathM:...c00ee7c8088f KAATUXNTWXVJKI-UHFFFAOYSA-N	Spike compound 0000114
envipath:...48c2511c53b2 envipathM:...48c2511c53b2 envipath:...ba8a1074ba93 envipathM:...ba8a1074ba93 KAATUXNTWXVJKI-UHFFFAOYSA-N	Spike compound 0000223
envipath:...e6153ec5feb4 envipathM:...e6153ec5feb4 envipath:...827c4f33c99f envipathM:...827c4f33c99f KAATUXNTWXVJKI-UHFFFAOYSA-N	Spike compound 0000506
sabiork.compound:24831 sabiorkM:24831 KAATUXNTWXVJKI-UHFFFAOYSA-N	alpha-Cypermethrin
envipath:...1baa87e84883 envipathM:...1baa87e84883 KAATUXNTWXVJKI-UHFFFAOYSA-N	compound 0045056
metacyc.compound:CPD-22551 metacycM:CPD-22551 KAATUXNTWXVJKI-UHFFFAOYSA-N	cypermethrin cyano(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
keggC:M_C10984 keggD:M_D07763 seedM:M_cpd07869	secondary/obsolete/fantasy identifier