SEQ2FUN

BioLiP

PDB CCD ID: DDQ
Number of entries in BioLiP: 0
Chemical formula: C12 H27 N O
InChI: InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
InChIKey: ZRKZFNZPJKEWPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCC[N+](C)(C)[O-]
ACDLabs 10.04[O-][N+](CCCCCCCCCC)(C)C
Name:DECYLAMINE-N,N-DIMETHYL-N-OXIDE
ChEMBL: CHEMBL1232157
DrugBank: DB02613
ZINC: ZINC000001849937
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).