BIRD-PRD_900096: thio-alpha-cellobiose 6-phosphate

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900096
• Status: Status: REF ONLY
• Name: thio-alpha-cellobiose 6-phosphate

BIRD information

• Type: Oligosaccharide / Substrate analog

Details

• oligosaccharide with S-glycosidic bond between monosaccharides

• Downloads: Molecular definition / Chemical definition

Chemical information

Composition

Formula: C₁₂H₂₃O₁₃PS / Formula weight: 438.342

• Others: Type: saccharide

History

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

Details

SMILES

• CACTVS 3.385: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O
• OpenEye OEToolkits 2.0.7: C(C1C(C(C(C(O1)O)O)O)SC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O

SMILES CANONICAL

• CACTVS 3.385: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1S[C@@H]2O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O
• OpenEye OEToolkits 2.0.7: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.7: [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]sul fanyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate #

PDB entries

Showing all 1 items

PDB-4ipn:
The complex structure of 6-phospho-beta-glucosidase BglA-2 with thiocellobiose-6P from Streptococcus pneumoniae