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- BIRD-PRD_900102: methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900102
StatusStatus: REF ONLY
Namemethyl 3-S-alpha-D-mannopyranosyl-3-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(O)C(OC)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)SC2C(C(C(C(O2)CO)O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C13H24O10S/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)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 1.03SCFDSIKLIGFXRA-ZEEOCKJESA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 1 items

PDB-3bvt:
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside

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