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

05L

Summary
Name:heptyl 1-seleno-beta-D-glucopyranoside
Synonyms:heptyl 1-seleno-beta-D-glucoside
heptyl 1-seleno-D-glucoside; heptyl 1-seleno-glucoside
Formula:C13 H26 O5 Se
Formal charge:0
Formula weight:341.303 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01heptyl 1-seleno-beta-D-glucopyranoside
OpenEye OEToolkits1.7.6(2S,3R,4S,5S,6R)-2-heptylselanyl-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[Se](CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChIInChI1.03InChI=1S/C13H26O5Se/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
InChIKeyInChI1.03SHGOSUGSVFEXFV-LBELIVKGSA-N
SMILES_CANONICALCACTVS3.370CCCCCCC[Se][C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.370CCCCCCC[Se][CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCC[Se]C1C(C(C(C(O1)CO)O)O)O

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon