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BioLiP

PDB CCD ID: UBQ
Number of entries in BioLiP: 1
Chemical formula: C18 H36 N2 O
InChI: InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1
InChIKey: SYMUTLCUVXEJOU-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
OpenEye OEToolkits 2.0.7CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C
Name:4-methyl-~{N}-undecyl-pyridine-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).
  • 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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