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

CG3

Summary
Name:HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM
Formula:C6 H6 N O3
Formal charge:1
Formula weight:140.117 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04hydroxy(2-hydroxyphenyl)oxoammonium
OpenEye OEToolkits1.6.1hydroxy-(2-hydroxyphenyl)-oxo-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=[N+](O)c1ccccc1O
SMILES_CANONICALCACTVS3.352Oc1ccccc1[N+](O)=O
SMILESCACTVS3.352Oc1ccccc1[N+](O)=O
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc(c(c1)[N+](=O)O)O
SMILESOpenEye OEToolkits1.6.1c1ccc(c(c1)[N+](=O)O)O
InChIInChI1.03InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H-,8,9,10)/p+1
InChIKeyInChI1.03CQQWRROYUSGJIU-UHFFFAOYSA-O

218500

数据于2024-04-17公开中

PDB statisticsPDBj update infoContact PDBjnumon