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BioLiP Library

PDB CCD ID: DIY
Number of entries in BioLiP: 0
Chemical formula: C9 H19 N
InChI: InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1
InChIKey: HWWOYRDUDOPLLL-SECBINFHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04N1CCCC(CCCC)C1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCC[C@@H]1CCCNC1
OpenEye OEToolkits 1.5.0CCCCC1CCCNC1
CACTVS 3.341CCCC[CH]1CCCNC1
Name:5-BUTYLPIPERIDINE
ZINC: ZINC000006778683
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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