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BioLiP

PDB CCD ID: XA7
Number of entries in BioLiP: 1
Chemical formula: C24 H52 N
InChI: InChI=1S/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1
InChIKey: DTIFFPXSSXFQCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
ACDLabs 12.01C(C[N+](CCCCCC)(CCCCCC)CCCCCC)CCCC
Name:TETRAHEXYL AMMONNIUM
ChEMBL: CHEMBL2074837
ZINC: ZINC000003880972
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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