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- ChemComp-YGX: (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-... -

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Basic information

EntryDatabase: PDB chemical components / ID: YGX
NameName: (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

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Chemical information

Composition
Formula: C7H14O6 / Number of atoms: 27 / Formula weight: 194.182 / Formal charge: 0
Others

8pej

Type: non-polymer / PDB classification: HETAIN / Three letter code: YGX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8PEJ
History
Create componentJun 15, 2023
Initial releaseOct 4, 2023
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

CACTVS 3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(C1O)O)O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.06InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1

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InChIKey

InChI 1.06QFYQIWDMMSKNFF-OUIVRQFQSA-N

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PDB entries

Showing all 1 items

PDB-8pej:
CjGH35 with a Galactosidase Activity-Based Probe

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