SEQ2FUN

BioLiP

PDB CCD ID: DPV
Number of entries in BioLiP: 26
Chemical formula: C17 H38 N O4 P
InChI: InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3
InChIKey: QBHFVMDLPTZDOI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
CACTVS 3.352CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
Name:dodecyl 2-(trimethylammonio)ethyl phosphate;
dodecylphosphocholine
ChEMBL: CHEMBL229565
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).