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- BIRD-PRD_900114: 4beta-beta-galactotriose -

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Open data


ID or keywords:

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900114
StatusStatus: REF ONLY
Name4beta-beta-galactotriose

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BIRD information

TypeOligosaccharide / metabolism
Details
  • oligosaccharide
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C18H32O16 / Formula weight: 504.437
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)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
CACTVS 3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)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[C@@H]2CO)O[C@@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[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[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)C O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)2 4/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1

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InChIKey

InChI 1.03FYGDTMLNYKFZSV-XJJKTWKOSA-N

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SYSTEMATIC NAME

ACDLabs 10.04beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose
OpenEye OEToolkits 1.5.0(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymet hyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

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PDB entries

Showing all 6 items

PDB-1ur0:
The structure of endo-beta-1,4-galactanase from Bacillus licheniformis in complex with two oligosaccharide products.

PDB-2ccr:
Structure of Beta-1,4-Galactanase

PDB-2gft:
Crystal structure of the E263A nucleophile mutant of Bacillus licheniformis endo-beta-1,4-galactanase in complex with galactotriose

PDB-2j74:
Structure of Beta-1,4-Galactanase

PDB-2xom:
Atomic resolution structure of TmCBM61 in complex with beta-1,4- galactotriose

PDB-2xon:
Structure of TmCBM61 in complex with beta-1,4-galactotriose at 1.4 A resolution

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