SEQ2FUN

BioLiP

PDB CCD ID: DME
Number of entries in BioLiP: 11
Chemical formula: C16 H38 N2
InChI: InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChIKey: MTCUAOILFDZKCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
ACDLabs 10.04C(CCCC[N+](C)(C)C)CCCCC[N+](C)(C)C
Name:DECAMETHONIUM ION
ChEMBL: CHEMBL1190
DrugBank: DB01245
ZINC: ZINC000001532339
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).