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BioLiP

PDB CCD ID: 2X7
Number of entries in BioLiP: 1
Chemical formula: C6 H5 N O2
InChI: InChI=1S/C6H5NO2/c7-5-3-1-2-4-9-6(5)8/h1-4,7H/b7-5+
InChIKey: HQPIXVSGYRVKOL-FNORWQNLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N=C1C=CC=COC1=O
OpenEye OEToolkits 1.7.6C1=CC(=N)C(=O)OC=C1
OpenEye OEToolkits 1.7.6[H]/N=C/1\C=CC=COC1=O
ACDLabs 12.01O=C1OC=CC=CC1=[N@H]
Name:(3E)-3-iminooxepin-2(3H)-one;
(4Z,6Z)-3-iminooxepin-2(3H)-one
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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