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

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bensulfuron-methyl

	Properties	Image
MNX_ID	MNXM43462
reference	chebi:3017
formula	C₁₆H₁₈N₄O₇S
global charge	0
mol weight	410.408
InChIKey	XMQFTWRPUQYINF-UHFFFAOYSA-N
InChI	InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
SMILES	COC(=O)C1=C(CS(=O)(=O)NC(=O)NC2=NC(OC)=CC(OC)=N2)C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
SMILES (mnx)	[CH3:1][O:25][C:12]1=[CH:8][C:13]([O:26][CH3:2])=[N:18][C:15]([N:19]=[C:16]([NH:20][S:28]([CH2:9][C:10]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:11]2[C:14](=[O:21])[O:27][CH3:3])(=[O:23])=[O:24])[OH:22])=[N:17]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3017 chebi:3017 XMQFTWRPUQYINF-UHFFFAOYSA-N	bensulfuron-methyl Bensulfuron methyl Methyl bensulfuron bensulfuron methyl ester methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoate methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoate methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-o-toluate methyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluate
hmdb:HMDB0248961 XMQFTWRPUQYINF-UHFFFAOYSA-N	BENSULFURON-METHYL 2-((((((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid methyl ester Bensulfuron methyl Bensulfuron methyl ester Bensulphuron methyl Bensulphuron methyl ester Bensulphuron-methyl Londax Methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoate Methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid Methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulphonyl]methyl]benzoate Methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulphonyl]methyl]benzoic acid Methyl a-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-O-toluate Methyl a-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-O-toluic acid Methyl a-((4,6-dimethoxypyrimidin-2-yl)ureidosulphonyl)-O-toluate Methyl a-((4,6-dimethoxypyrimidin-2-yl)ureidosulphonyl)-O-toluic acid Methyl a-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-O-toluate Methyl a-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-O-toluic acid Methyl a-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulphamoyl]-O-toluate Methyl a-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulphamoyl]-O-toluic acid Methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-O-toluate Methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-O-toluic acid Methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulphonyl)-O-toluate Methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulphonyl)-O-toluic acid Methyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-O-toluate Methyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-O-toluic acid Methyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulphamoyl]-O-toluate Methyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulphamoyl]-O-toluic acid Methyl bensulfuron Methyl bensulfuron, lithium salt Methyl bensulphuron bensulfuron-methyl (PH7) methyl 2-[({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)methyl]benzoate
envipath:...dc850e8108c6 envipathM:...dc850e8108c6 envipath:...1e5ce4d87546 envipathM:...1e5ce4d87546 XMQFTWRPUQYINF-UHFFFAOYSA-N	Bensulfuron methyl
kegg.compound:C10937 keggC:C10937 XMQFTWRPUQYINF-UHFFFAOYSA-N	Bensulfuron-methyl Bensulfuron methyl Methyl bensulfuron
seed.compound:cpd07822 seedM:cpd07822 XMQFTWRPUQYINF-UHFFFAOYSA-M	Methyl bensulfuron Bensulfuron methyl Bensulfuron-methyl
envipath:...0962508762c1 envipathM:...0962508762c1 envipath:...d7539948e04a envipathM:...d7539948e04a XMQFTWRPUQYINF-UHFFFAOYSA-N	Spike compound 0000327
envipath:...3312e35b21b3 envipathM:...3312e35b21b3 envipath:...2a5f24f27f6c envipathM:...2a5f24f27f6c XMQFTWRPUQYINF-UHFFFAOYSA-N	Spike compound 0000410
keggC:M_C10937 seedM:M_cpd07822	secondary/obsolete/fantasy identifier