Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4HO

Summary
Name:1-hydroxy-4-methylpyridin-2(1H)-one
Formula:C6 H7 N O2
Formal charge:0
Formula weight:125.125 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-hydroxy-4-methylpyridin-2(1H)-one
OpenEye OEToolkits1.7.64-methyl-1-oxidanyl-pyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(C=CN1O)C
InChIInChI1.03InChI=1S/C6H7NO2/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKeyInChI1.03AFXHVMLWGXYZJA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=CC(=O)N(O)C=C1
SMILESCACTVS3.385CC1=CC(=O)N(O)C=C1
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=CC(=O)N(C=C1)O
SMILESOpenEye OEToolkits1.7.6CC1=CC(=O)N(C=C1)O

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon