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- BIRD-PRD_900115: 4beta-beta-mannobiose -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900115
StatusStatus: REF ONLY
Name4beta-beta-mannobiose

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BIRD information

TypeOligosaccharide / metabolism
Details
  • oligosaccharide
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C12H22O11 / Formula weight: 342.296
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 10.04O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
CACTVS 3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+ ,10-,11-,12+/m1/s1

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InChIKey

InChI 1.03GUBGYTABKSRVRQ-PZPXDAEZSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-O-beta-D-mannopyranosyl-beta-D-mannopyranose
OpenEye OEToolkits 1.5.0(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-trio l

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