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BioLiP

PDB CCD ID: XIE
Number of entries in BioLiP: 2
Chemical formula: C6 H5 N O
InChI: InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
InChIKey: QJZUKDFHGGYHMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		O=Cc1cccnc1
OpenEye OEToolkits 2.0.7c1cc(cnc1)C=O
Name:pyridine-3-carbaldehyde;
NICOTINALDEHYDE
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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