SEQ2FUN

BioLiP

PDB CCD ID: CAT
Number of entries in BioLiP: 5
Chemical formula: C15 H34 N
InChI: InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChIKey: VICYBMUVWHJEFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCC[N+](C)(C)C
ACDLabs 10.04C(CCCC[N+](C)(C)C)CCCCCCC
Name:DODECANE-TRIMETHYLAMINE
ChEMBL: CHEMBL1180004
DrugBank: DB02779
ZINC: ZINC000001673414
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).