SEQ2FUN

BioLiP

PDB CCD ID: 0O8
Number of entries in BioLiP: 1
Chemical formula: C25 H53 N O4 P
InChI: InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1
InChIKey: SZFPYBIJACMNJV-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)C
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C
CACTVS 3.370CCCCCCCCCCCCCCCCCCO[P](O)(=O)OC1CC[N+](C)(C)CC1
Name:(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate;
PERIFOSINE
ZINC: ZINC000008214653
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).