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BioLiP

PDB CCD ID: UBN
Number of entries in BioLiP: 1
Chemical formula: C15 H30 N2 O
InChI: InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18)
InChIKey: HAWIGYZAJFCXMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCNC(=O)N1CCC(CC1)C
CACTVS 3.385CCCCCCCCNC(=O)N1CCC(C)CC1
Name:4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide
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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