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

Feedback

butachlor

	Properties	Image
MNX_ID	MNXM44954
reference	chebi:3230
formula	C₁₇H₂₆ClNO₂
global charge	0
mol weight	311.853
InChIKey	HKPHPIREJKHECO-UHFFFAOYSA-N
InChI	InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
SMILES	CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC

MNX internals

InChI (mnx)	InChI=1/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
SMILES (mnx)	[CH3:1][CH2:4][CH2:7][CH2:11][O:21][CH2:13][N:19]([C:16]([CH2:12][Cl:18])=[O:20])[C:17]1=[C:14]([CH2:5][CH3:2])[CH:9]=[CH:8][CH:10]=[C:15]1[CH2:6][CH3:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3230 chebi:3230 HKPHPIREJKHECO-UHFFFAOYSA-N	butachlor 2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide 2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide 2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide N-(Butoxymethyl)-2-chloro-2',6'-diethylacetanilide N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide
hmdb:HMDB0249451 HKPHPIREJKHECO-UHFFFAOYSA-N	BUTACHLOR 2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide 2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide 2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide 2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide Machete N-(Butoxymethyl)-2-chloro-2',6'-diethylacetanilide N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide N-Butoxymethyl-a-chloro-2',6'-diethylacetanilide N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide machette
kegg.compound:C10931 keggC:C10931 HKPHPIREJKHECO-UHFFFAOYSA-N	Butachlor
seed.compound:cpd07816 seedM:cpd07816 HKPHPIREJKHECO-UHFFFAOYSA-N	Butachlor N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide butachlor
metacyc.compound:CPD-18941 metacycM:CPD-18941 HKPHPIREJKHECO-UHFFFAOYSA-N	butachlor N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
envipath:...2ef02d8ba0f4 envipathM:...2ef02d8ba0f4 HKPHPIREJKHECO-UHFFFAOYSA-N	compound 0046629
keggC:M_C10931 seedM:M_cpd07816	secondary/obsolete/fantasy identifier