SEQ2FUN

BioLiP

PDB CCD ID: 17Q
Number of entries in BioLiP: 2
Chemical formula: C19 H39 N O
InChI: InChI=1S/C19H39NO/c1-20(2)17-13-10-14-18-21-19-15-11-8-6-4-3-5-7-9-12-16-19/h19H,3-18H2,1-2H3
InChIKey: IWMFMRACOCTPPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CN(C)CCCCCOC1CCCCCCCCCCC1
ACDLabs 12.01O(CCCCCN(C)C)C1CCCCCCCCCCC1
Name:1.7.6 5-cyclododecyloxy-N,N-dimethyl-pentan-1-amine
ZINC: ZINC000098207926
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).