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- BIRD-PRD_900106: 6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900106
StatusStatus: REF ONLY
Name6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose

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BIRD information

TypeOligosaccharide / Substrate analog
Details
  • oligosaccharide with S-glycosidic bond between monosaccharides
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C12H22O10S / Formula weight: 358.362
OthersType: saccharide
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C1(OC(C(C(C1O)O)O)CO)SCC2C(C(C(C(O2)O)O)O)O
CACTVS 3.385OC[CH]1O[CH](SC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)SCC2C(C(C(C(O2)O)O)O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@H](SC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+ ,10+,11+,12-/m1/s1

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InChIKey

InChI 1.03KLUQTOWGMHJQAC-LBGGPIGOSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose
OpenEye OEToolkits 2.0.7(2~{S},3~{S},4~{S},5~{S},6~{S})-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sul fanylmethyl]oxane-2,3,4,5-tetrol

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PDB entries

Showing all 1 items

PDB-3qt9:
Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, Clostridium perfringens CPE0426 complexed with alpha-1,6-linked 1-thio-alpha-mannobiose

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