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BioLiP Library

PDB CCD ID: AKS
Number of entries in BioLiP: 1
Chemical formula: C12 H21 N O
InChI: InChI=1S/C12H21NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h1H,4-11H2,2H3,(H,13,14)
InChIKey: CJZDJNGNVAVPMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCC(=O)NCCCCC#C
ACDLabs 12.01C(CCCC(=O)NCCCCC#C)C
Name:N-(hex-5-yn-1-yl)hexanamide
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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