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BioLiP

PDB CCD ID: 10A
Number of entries in BioLiP: 5
Chemical formula: C22 H48 N
InChI: InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1
InChIKey: JGFDZZLUDWMUQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
ACDLabs 10.04C(CCCCC[N+](C)(CCCCCCCCCC)C)CCCC
Name:DIDECYL-DIMETHYL-AMMONIUM
ChEMBL: CHEMBL1182247
DrugBank: DB04221
ZINC: ZINC000014881137
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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