SEQ2FUN

BioLiP

PDB CCD ID: LDM
Number of entries in BioLiP: 2
Chemical formula: C17 H36 N2 O2
InChI: InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)
InChIKey: JNGWKQJZIUZUPR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
ACDLabs 10.04[O-][N+](C)(CCCNC(=O)CCCCCCCCCCC)C
Name:3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE;
[3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM
DrugBank: DB01736
ZINC: ZINC000053683257
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).