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BioLiP

PDB CCD ID: CCN
Number of entries in BioLiP: 14
Chemical formula: C2 H3 N
InChI: InChI=1S/C2H3N/c1-2-3/h1H3
InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02N#CC
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC#N
Name:ACETONITRILE
ChEMBL: CHEMBL45211
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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