SEQ2FUN

BioLiP

PDB CCD ID: LDA
Number of entries in BioLiP: 0
Chemical formula: C14 H31 N O
InChI: InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
InChIKey: SYELZBGXAIXKHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCC[N+](C)(C)[O-]
ACDLabs 10.04[O-][N+](CCCCCCCCCCCC)(C)C
Name:LAURYL DIMETHYLAMINE-N-OXIDE
ChEMBL: CHEMBL1233973
DrugBank: DB04147
ZINC: ZINC000002039372
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).