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

1BZ

Summary
Name:6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
Formula:C13 H13 N O2
Formal charge:0
Formula weight:215.248 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
OpenEye OEToolkits1.7.64-methyl-1-oxidanyl-6-(phenylmethyl)pyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(C=C(N1O)Cc2ccccc2)C
InChIInChI1.03InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyInChI1.03AVLZAVSZOAQKRC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC1=CC(=O)N(O)C(=C1)Cc2ccccc2
SMILESCACTVS3.370CC1=CC(=O)N(O)C(=C1)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=CC(=O)N(C(=C1)Cc2ccccc2)O
SMILESOpenEye OEToolkits1.7.6CC1=CC(=O)N(C(=C1)Cc2ccccc2)O

223532

數據於2024-08-07公開中

PDB statisticsPDBj update infoContact PDBjnumon