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BioLiP

PDB CCD ID: NYH
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N O2
InChI: InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey: DJBRXNRKYAWTBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(=CC1)[N+](=O)[O-]
ACDLabs 10.04
CACTVS 3.341		[O-][N+](=O)C1=CCCCC1
Name:1-nitrocyclohexene
ZINC: ZINC000004528664
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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