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BioLiP

PDB CCD ID: YIV
Number of entries in BioLiP: 1
Chemical formula: C5 H11 N O
InChI: InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)
InChIKey: QQGNLKJAIVSNCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CCCCNC=O
ACDLabs 12.01O=CNCCCC
Name:N-butylformamide
ChEMBL: CHEMBL45466
ZINC: ZINC000001687324
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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