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- ChemComp-CBU: (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL -

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Basic information

EntryDatabase: PDB chemical components / ID: CBU
NameName: (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol

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Chemical information

Composition
Formula: C6H12O6 / Number of atoms: 24 / Formula weight: 180.156 / Formal charge: 0
Others

2vt0

Type: non-polymer / Three letter code: CBU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VT0
History
Create componentMay 3, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / HMDB / 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

ACDLabs 10.04OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1

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InChIKey

InChI 1.03CDAISMWEOUEBRE-LKPKBOIGSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol
OpenEye OEToolkits 1.5.0cyclohexane-1,2,3,4,5,6-hexol

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PDB entries

Showing all 3 items

PDB-2vt0:
X-ray structure of a conjugate with conduritol-beta-epoxide of acid-beta-glucosidase overexpressed in cultured plant cells

PDB-33fe:
Crystal Structure of the beta-Glucosidase BglA9 in Complex with the Inhibitor Conduritol B Epoxide

PDB-4mjl:
Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and D-chiro-inositol

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