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BioLiP

PDB CCD ID: NNO
Number of entries in BioLiP: 13
Chemical formula: C6 H5 N O4
InChI: InChI=1S/C6H5NO4/c8-5-2-1-4(6(9)10)3-7(5)11/h1-3,8H,(H,9,10)
InChIKey: PQTDJLRPWRPPLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(O)[n+]([O-])c1
ACDLabs 10.04O=C(O)c1c[n+]([O-])c(O)cc1
OpenEye OEToolkits 1.5.0c1cc([n+](cc1C(=O)O)[O-])O
Name:6-HYDROXYISONICOTINIC ACID N-OXIDE
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).
  • 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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