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BioLiP

PDB CCD ID: XEA
Number of entries in BioLiP: 0
Chemical formula: C4 H6 N2 O
InChI: InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h4,6H,1-2H2
InChIKey: NPVKKLZPJHCXFQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CON[C@@H]1C#N
CACTVS 3.385N#C[C@@H]1CCON1
OpenEye OEToolkits 2.0.7C1CONC1C#N
ACDLabs 12.01N#CC1NOCC1
CACTVS 3.385N#C[CH]1CCON1
Name:(3R)-1,2-oxazolidine-3-carbonitrile
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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