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- BIRD-PRD_900033: methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900033
StatusStatus: REF ONLY
Namemethyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside

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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: C13H24O10S / Formula weight: 372.389
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 10.04S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)SC2C(C(C(C(O2)CO)O)O)O

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SMILES CANONICAL

CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

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InChI

InChI 1.03InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7- ,8+,9+,10+,11+,12+,13-/m1/s1

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InChIKey

InChI 1.03WAYOKHSZGNFKSX-ZEEOCKJESA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside
OpenEye OEToolkits 1.5.0(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxan e-3,4,5-triol

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PDB entries

Showing all 5 items

PDB-1x9d:
Crystal Structure Of Human Class I alpha-1,2-Mannosidase In Complex With Thio-Disaccharide Substrate Analogue

PDB-2ww1:
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Thiomannobioside

PDB-2ww3:
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside

PDB-4ayp:
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with thiomannobioside

PDB-5kk7:
Crystal structure of the class I human endoplasmic reticulum 1,2-alpha-mannosidase T688A mutant and Thio-disaccharide substrate analog complex

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