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

NTK

Summary
Name:2,3-di(butanoyloxy)propyl butanoate
Formula:C15 H26 O6
Formal charge:0
Formula weight:302.363 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72,3-di(butanoyloxy)propyl butanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
InChIKeyInChI1.03UYXTWWCETRIEDR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
SMILESCACTVS3.385CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
SMILESOpenEye OEToolkits2.0.7CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon