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BioLiP

PDB CCD ID: CG3
Number of entries in BioLiP: 1
Chemical formula: C6 H6 N O3
InChI: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H-,8,9,10)/p+1
InChIKey: CQQWRROYUSGJIU-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.352Oc1ccccc1[N+](O)=O
ACDLabs 10.04O=[N+](O)c1ccccc1O
OpenEye OEToolkits 1.6.1c1ccc(c(c1)[N+](=O)O)O
Name:HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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