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BioLiP

PDB CCD ID: VGU
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2 O3
InChI: InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+
InChIKey: FOKIIJXZYLWKMI-UXBLZVDNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)N=CC(=O)NO
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)/N=C/C(=O)NO
ACDLabs 12.01O=C(/N=C/C(=O)NO)c1ccccc1
CACTVS 3.385ONC(=O)C=NC(=O)c1ccccc1
Name:N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide
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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