Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

0O8

Summary
Name:(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
Synonyms:PERIFOSINE
Formula:C25 H53 N O4 P
Formal charge:1
Formula weight:462.666 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium
OpenEye OEToolkits1.7.6(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC
InChIInChI1.03InChI=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
InChIKeyInChI1.03SZFPYBIJACMNJV-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCCCCO[P](O)(=O)OC1CC[N+](C)(C)CC1
SMILESCACTVS3.370CCCCCCCCCCCCCCCCCCO[P](O)(=O)OC1CC[N+](C)(C)CC1
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](CC1)(C)C

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon