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

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alachlor

	Properties	Image
MNX_ID	MNXM40499
reference	chebi:2533
formula	C₁₄H₂₀ClNO₂
global charge	0
mol weight	269.772
InChIKey	XCSGPAVHZFQHGE-UHFFFAOYSA-N
InChI	InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
SMILES	CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl

MNX internals

InChI (mnx)	InChI=1/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
SMILES (mnx)	[CH3:1][CH2:4][C:11]1=[C:14]([N:16]([CH2:10][O:18][CH3:3])[C:13]([CH2:9][Cl:15])=[O:17])[C:12]([CH2:5][CH3:2])=[CH:8][CH:6]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2533 chebi:2533 XCSGPAVHZFQHGE-UHFFFAOYSA-N	alachlor 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Alachlor Alachlore Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid
envipath:...8a686f989fb4 envipathM:...8a686f989fb4 kegg.compound:C10928 keggC:C10928 XCSGPAVHZFQHGE-UHFFFAOYSA-N	Alachlor
hmdb:HMDB0031766 XCSGPAVHZFQHGE-UHFFFAOYSA-N	Alachlor 2-Chloro-2',6'-diethyl-N-(methoxymethyl)-acetanilde 2-Chloro-2',6'-diethyl-N-(methoxymethyl)-acetanilide 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide 2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide 2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide 2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide, 9ci 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide Alachlor (pesticides mixture) Alachlor technical Alachlor technical (90% or more) Alachlor-atrazine Alachlore Alagan Alanex Alanox Alapaz Alatox Alatox 480 Alazine Alochlor Bullet Chimiclor Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid LAZO Lasagrin Lasso Lasso micro-tech Metachlor Methachlor N-(Methoxymethyl)-2,6-diethylchloroacetanilide Nitala Pillarzo Ralchlor Satochlor alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide
seed.compound:cpd07813 seedM:cpd07813 XCSGPAVHZFQHGE-UHFFFAOYSA-N	Alachlor N-(methoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide alachlor
envipath:...15c316e776ab envipathM:...15c316e776ab XCSGPAVHZFQHGE-UHFFFAOYSA-N	alachlor
metacyc.compound:CPD-18948 metacycM:CPD-18948 XCSGPAVHZFQHGE-UHFFFAOYSA-N	alachlor N-(methoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
hmdb:HMDB31766 keggC:M_C10928 seedM:M_cpd07813	secondary/obsolete/fantasy identifier