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- ChemComp-IVG: D-Xylose, 4-O-beta-D-xylopyranosyl- -

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Basic information

EntryDatabase: PDB chemical components / ID: IVG
NameName: D-Xylose, 4-O-beta-D-xylopyranosyl- / Synonyms: Xylobiose

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Chemical information

Composition
Formula: C10H18O9 / Number of atoms: 37 / Formula weight: 282.245 / Formal charge: 0
Others

7zb3

XYP

Type: saccharide / PDB classification: ATOMS / Three letter code: IVG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZB3 / Parent comp.: XYP
History
Create componentApr 14, 2022
Modify descriptorAug 22, 2022
Initial releaseApr 5, 2023
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC[CH](O[CH]1OC[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 2.0.7C1C(C(C(C(O1)OC(CO)C(C(C=O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O

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InChI

InChI 1.06InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1

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InChIKey

InChI 1.06SQNRKWHRVIAKLP-RSZZQXBVSA-N

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PDB entries

Showing all 1 items

PDB-7zb3:
Crystal structure of beta-xylosidase from Thermotoga maritima in complex with xylohexaose hydrolysed to xylobiose

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