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BioLiP

PDB CCD ID: V9Y
Number of entries in BioLiP: 8
Chemical formula: C6 H6 N2 O5
InChI: InChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10)
InChIKey: PJWJTAUUGOFUIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(oc1C(=O)NO)C(=O)NO
ACDLabs 12.01C(=O)(NO)c1ccc(o1)C(=O)NO
CACTVS 3.385ONC(=O)c1oc(cc1)C(=O)NO
Name:N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide
ZINC: ZINC000005260243
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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