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

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sulfamethoxazole

	Properties	Image
MNX_ID	MNXM1108032
reference	chebi:9332
formula	C₁₀H₁₁N₃O₃S
global charge	0
mol weight	253.283
InChIKey	JLKIGFTWXXRPMT-UHFFFAOYSA-N
InChI	InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
SMILES	CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1

MNX internals

InChI (mnx)	InChI=1/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
SMILES (mnx)	[CH3:1][C:7]1=[CH:6][C:10]([NH:13][S:17]([C:9]2=[CH:5][CH:3]=[C:8]([NH2:11])[CH:2]=[CH:4]2)(=[O:14])=[O:15])=[N:12][O:16]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:9332 chebi:9332 JLKIGFTWXXRPMT-UHFFFAOYSA-N	sulfamethoxazole 3-(p-Aminophenylsulfonamido)-5-methylisoxazole 3-Sulfanilamido-5-methylisoxazole 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide Gantanol (TN) SMX Sulfamethoxazole sulphamethoxazole
envipath:...755d198ee526 envipathM:...755d198ee526 kegg.compound:C07315 keggC:C07315 JLKIGFTWXXRPMT-UHFFFAOYSA-N	Sulfamethoxazole
kegg.drug:D00447 keggD:D00447 JLKIGFTWXXRPMT-UHFFFAOYSA-N	Sulfamethoxazole (JP18/USP/INN) Gantanol (TN)
hmdb:HMDB0015150 JLKIGFTWXXRPMT-UHFFFAOYSA-N	Sulfamethoxazole 3-(Para-aminophenylsulphonamido)-5-methylisoxazole 3-(p-Aminobenzenesulfonamido)-5-methylisoxazole 3-(p-Aminophenylsulfonamido)-5-methylisoxazole 3-(p-Aminophenylsulphonamido)-5-methylisoxazole 3-Sulfanilamido-5-methylisoxazole 3-Sulphanilamido-5-methylisoxazole 4-Amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide 4-Amino-N-(5-methyl-3-isoxazolyl)-benzenesulfonamide 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulphonamide 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide 5-Methyl-3-sulfanilamidoisoxazole 5-Methyl-3-sulfanylamidoisoxazole 5-Methyl-3-sulfonylamidoisoxazole 5-Methyl-3-sulphanil-amidoisoxazole Azo-gantanol Bactrim Gantanol Metoxal N'-(5-methyl-3-isoxazole)sulfanilamide N'-(5-methyl-3-isoxazolyl)-sulfanilamide N'-(5-methyl-3-isoxazolyl)sulfanilamide N'-(5-methylisoxazol-3-yl)sulphanilamide N1-(5-Methyl-3-isoxazolyl)-sulfanilamide N1-(5-Methyl-3-isoxazolyl)sulfanilamide N1-(5-Methyl-3-isoxazolyl)sulphanilamide N^1-(5-methyl-3-isoxazolyl)-sulfanilamide Ndimethyl1-(5-methyl-3-isoxazolyl)-sulfanilamide Radonil SMX Simsinomin Sinomin Sulfamethalazole Sulfamethoxazol Sulfamethoxazole(usan) Sulfamethylisoxazole Sulfisomezole Sulpha-methoxizole Sulphamethoxazol Sulphamethoxazole Sulphamethylisoxazole Sulphisomezole sulfamethoxazole
envipath:...3ed2fa720568 envipathM:...3ed2fa720568 JLKIGFTWXXRPMT-UHFFFAOYSA-N	compound 0046858
metacyc.compound:CPD-21032 metacycM:CPD-21032 JLKIGFTWXXRPMT-UHFFFAOYSA-N	sulfamethoxazole
hmdb:HMDB15150 chebi:102247 keggC:M_C07315 keggD:M_D00447	secondary/obsolete/fantasy identifier