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5PR

Summary
Name:5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
Synonyms:5-Pyridoxic acid
Formula:C8 H9 N O4
Formal charge:0
Formula weight:183.161 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
OpenEye OEToolkits1.7.05-hydroxy-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cnc(c(O)c1CO)C
SMILES_CANONICALCACTVS3.370Cc1ncc(C(O)=O)c(CO)c1O
SMILESCACTVS3.370Cc1ncc(C(O)=O)c(CO)c1O
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1c(c(c(cn1)C(=O)O)CO)O
SMILESOpenEye OEToolkits1.7.0Cc1c(c(c(cn1)C(=O)O)CO)O
InChIInChI1.03InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)
InChIKeyInChI1.03VJZTVPVXKYQRJZ-UHFFFAOYSA-N

217157

PDB entries from 2024-03-13

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