SEQ2FUN

BioLiP

PDB CCD ID: PQJ
Number of entries in BioLiP: 50
Chemical formula: C19 H43 N O4 P
InChI: InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22)
InChIKey: JOPCRKJIQSCIFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C
Name:fos-choline-14;
tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
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).