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BioLiP Library

PDB CCD ID: BXO
Number of entries in BioLiP: 12
Chemical formula: C4 H9 N O
InChI: InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4-
InChIKey: KGGVGTQEGGOZRN-PLNGDYQASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCC=NO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCC\C=N/O
ACDLabs 10.04N(/O)=C/CCC
Name:(1Z)-butanal oxime;
n-Butyraldoxime
ZINC: ZINC000013514543
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)(download the PDF file).
  • 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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