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BioLiP

PDB CCD ID: DR8
Number of entries in BioLiP: 0
Chemical formula: C10 H12 N
InChI: InChI=1S/C10H12N/c1-5-6-7-8-9-10-11(2,3)4/h1-4H3/q+1
InChIKey: AKYJILYZPCHMQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04C(C#CC#C[N+](C)(C)C)#CC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC#CC#CC#C[N+](C)(C)C
Name:N,N,N-TRIMETHYLHEPTA-1,3,5-TRIYN-1-AMINIUM
ZINC: ZINC000038792034
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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