SEQ2FUN

BioLiP

PDB CCD ID: D9G
Number of entries in BioLiP: 3
Chemical formula: C16 H33 N O2
InChI: InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3
InChIKey: DVEKCXOJTLDBFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
CACTVS 3.341CCCCCCCCCCCC[N+](C)(C)CC([O-])=O
ACDLabs 10.04[O-]C(=O)C[N+](CCCCCCCCCCCC)(C)C
Name:N-DODECYL-N,N-DIMETHYLGLYCINATE
ChEMBL: CHEMBL1232088
DrugBank: DB07631
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).