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- BIRD-PRD_900107: methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->... -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900107
StatusStatus: REF ONLY
Namemethyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside

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BIRD information

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

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Chemical information

Composition
Formula: C19H34O15S / Formula weight: 534.529
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(C2C(O)C(OC)OC(COC1OC(CO)C(O)C(O)C1O)C2O)C3OC(C(O)C(O)C3O)CO
CACTVS 3.341CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)SC3C(C(C(C(O3)CO)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](S[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C @@H]1O
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)S[C@@H]3[C@H]([C@H]([C@@H]([C@H](O 3)CO)O)O)O)O

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InChI

InChI 1.03InChI=1S/C19H34O15S/c1-30-17-15(29)16(35-19-14(28)12(26)9(23)6(3-21)34-19)10(24)7(33-17)4-31-18-13(27)11(25)8(22)5(2-20 )32-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-/m1/s1

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InChIKey

InChI 1.03MECMOIIFPKBROO-OINXDFOBSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside
OpenEye OEToolkits 1.5.0(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-methoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa n-2-yl]sulfanyl-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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PDB entries

Showing all 1 items

PDB-3bvu:
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside

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