BIRD-PRD_002457: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-2-deoxy-2-f...

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002457
• Status: Status: REF ONLY
• Name: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-2-deoxy-2-fluoro-alpha-D-glucopyranose

BIRD information

• Type: Oligosaccharide / Inhibitor
• Downloads: Molecular definition / Chemical definition

Chemical information

Composition

Formula: C₁₈H₃₁FO₁₅ / Formula weight: 506.428

• Others: Type: saccharide

History

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](CO)O[CH](O)[CH]3F)[CH](O)[CH](O)[CH]1O
• OpenEye OEToolkits 2.0.7: C(C1C(C(C(C(O1)O)F)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O

SMILES CANONICAL

• CACTVS 3.385: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]3F)[C@H](O)[C@@H](O)[C@@H]1O
• OpenEye OEToolkits 2.0.7: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.7: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-5-fluoranyl-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol #

PDB entries

Showing all 1 items

PDB-7kr6:
Glycoside hydrolase family 16 endo-glucanase from Bacteroides ovatus in complex with G4G3G-2F-DNP