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

FK9

Summary
Name:3-(propylsulfanyl)propyl alpha-D-mannopyranoside
Synonyms:PROPYL THIOPROPYL ALPHA-D-MANNOPYRANOSIDE
3-(propylsulfanyl)propyl alpha-D-mannoside; 3-(propylsulfanyl)propyl D-mannoside; 3-(propylsulfanyl)propyl mannoside
Formula:C12 H24 O6 S
Formal charge:0
Formula weight:296.38 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(propylsulfanyl)propyl alpha-D-mannopyranoside
OpenEye OEToolkits1.9.2(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-propylsulfanylpropoxy)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(CCCSCCC)C1OC(C(O)C(O)C1O)CO
InChIInChI1.03InChI=1S/C12H24O6S/c1-2-5-19-6-3-4-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11+,12+/m1/s1
InChIKeyInChI1.03VPHBOBPNUZWASC-GCHJQGSQSA-N
SMILES_CANONICALCACTVS3.385CCCSCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.385CCCSCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.9.2CCCSCCCOC1C(C(C(C(O1)CO)O)O)O

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon