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- ChemComp-BHG: hexyl beta-D-galactopyranoside -

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Basic information

EntryDatabase: PDB chemical components / ID: BHG
NameName: hexyl beta-D-galactopyranoside
Synonyms: 2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL; hexyl beta-D-galactoside; hexyl D-galactoside; hexyl

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Chemical information

Composition
Formula: C12H24O6 / Number of atoms: 42 / Formula weight: 264.315 / Formal charge: 0
Others

1lzj

GAL

Type: D-saccharide / PDB classification: ATOMS / Three letter code: BHG / Model coordinates PDB-ID: 1LZJ / Parent comp.: GAL
History
Create componentOct 11, 2000
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify leaving atom flagJul 17, 2020
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(CCCCCC)C1OC(C(O)C(O)C1O)CO
CACTVS 3.341CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CCCCCCOC1C(C(C(C(O1)CO)O)O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

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InChI

InChI 1.03InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1

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InChIKey

InChI 1.03JVAZJLFFSJARQM-YBXAARCKSA-N

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SYSTEMATIC NAME

ACDLabs 10.04hexyl beta-D-galactopyranoside
OpenEye OEToolkits 1.5.0(2R,3R,4S,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol

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PDB entries

Showing all 4 items

PDB-2gmh:
Structure of Porcine Electron Transfer Flavoprotein-Ubiquinone Oxidoreductase in Complexed with Ubiquinone

PDB-2h88:
Avian Mitochondrial Respiratory Complex II at 1.8 Angstrom Resolution

PDB-2h89:
Avian Respiratory Complex II with Malonate Bound

PDB-2wqy:
Remodelling of carboxin binding to the Q-site of avian respiratory complex II

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