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

DEG

Summary
Name:butyl alpha-D-mannopyranoside
Synonyms:BUTYL-A-D-MANNOSE
butyl alpha-D-mannoside; butyl D-mannoside; butyl mannoside
Formula:C10 H20 O6
Formal charge:0
Formula weight:236.262 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04butyl alpha-D-mannopyranoside
OpenEye OEToolkits1.5.0(2S,3S,4S,5S,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCCC)C1OC(C(O)C(O)C1O)CO
SMILES_CANONICALCACTVS3.341CCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.341CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCOC1C(C(C(C(O1)CO)O)O)O
InChIInChI1.03InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9+,10+/m1/s1
InChIKeyInChI1.03BZANQLIRVMZFOS-ZJDVBMNYSA-N

219869

PDB entries from 2024-05-15

PDB statisticsPDBj update infoContact PDBjnumon