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- BIRD-PRD_900023: alpha-cellobiose -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900023
StatusStatus: REF ONLY
Namealpha-cellobiose

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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 12.01C2(OC1C(C(C(O)OC1CO)O)O)C(O)C(O)C(O)C(O2)CO
CACTVS 3.385OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[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 2.0.7C([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-MFRLZQSSSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-O-beta-D-glucopyranosyl-alpha-D-glucopyranose
OpenEye OEToolkits 2.0.7(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-4,5,6-tris(oxida nyl)oxan-3-yl]oxy-oxane-3,4,5-triol

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