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BioLiP

PDB CCD ID: UWI
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)
InChIKey: DGOYLVBDCVINQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		NC(=O)C1CCOCC1
OpenEye OEToolkits 2.0.7C1COCCC1C(=O)N
Name:oxane-4-carboxamide
ZINC: ZINC000012471322
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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