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- ChemComp-UKT: (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol -

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Basic information

EntryDatabase: PDB chemical components / ID: UKT
NameName: (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
Synonyms: (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol

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Chemical information

Composition
Formula: C7H14O5 / Number of atoms: 26 / Formula weight: 178.183 / Formal charge: 0
Others

7nl5

Type: non-polymer / PDB classification: HETAIN / Three letter code: UKT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NL5
History
Create componentFeb 28, 2021
Initial releaseApr 28, 2021
External linksUniChem / ChemSpider / PubChem / 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]1[CH](O)C[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(C(C1O)O)O)CO)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C7H14O5/c8-2-3-4(9)1-5(10)7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5+,6+,7+/m0/s1

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InChIKey

InChI 1.03RRGKETGQYFXIFR-CQOGJGKDSA-N

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PDB entries

Showing all 1 items

PDB-7nl5:
Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor

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