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

QNP

Summary
Name:(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
Formula:C26 H51 O8 P
Formal charge:0
Formula weight:522.652 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
OpenEye OEToolkits2.0.7[(2~{S})-1-nonanoyloxy-3-phosphonooxy-propan-2-yl] tetradecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O
InChIInChI1.03InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1
InChIKeyInChI1.03GDXQVZUHVZYLSC-DEOSSOPVSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)CO[P](O)(O)=O
SMILESCACTVS3.385CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)O

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon