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GNJ

Summary
Name:4-hydroxy-8-sulfoquinoline-3-carboxylic acid
Formula:C10 H7 N O6 S
Formal charge:0
Formula weight:269.231 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-hydroxy-8-sulfoquinoline-3-carboxylic acid
OpenEye OEToolkits2.0.64-oxidanyl-8-sulfo-quinoline-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O
InChIInChI1.03InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)
InChIKeyInChI1.03FKTVHRZETGCILU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O
SMILESCACTVS3.385OC(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O
SMILESOpenEye OEToolkits2.0.6c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O

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PDB entries from 2024-07-10

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