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BioLiP Library

PDB CCD ID: KJ1
Number of entries in BioLiP: 1
Chemical formula: C17 H34 N2 O2
InChI: InChI=1S/C17H34N2O2/c1-2-3-4-5-8-11-14-17(21)19-15-12-9-6-7-10-13-16(18)20/h2-15H2,1H3,(H2,18,20)(H,19,21)
InChIKey: SKOHWEXHBDBESR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCC(=O)NCCCCCCCC(=O)N
CACTVS 3.385CCCCCCCCC(=O)NCCCCCCCC(N)=O
ACDLabs 12.01C(CNC(CCCCCCCC)=O)CCCCCC(=O)N
Name:N-(8-amino-8-oxooctyl)nonanamide
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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