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- ChemComp-FT5: (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: FT5
NameName: (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid

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Chemical information

Composition
Formula: C7H12O5 / Number of atoms: 24 / Formula weight: 176.167 / Formal charge: 0
Others

6h5j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FT5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H5J
History
Create componentJul 25, 2018
Other modificationAug 24, 2018
Initial releaseJul 24, 2019
Modify nameSep 4, 2019
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 3.385O[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.6C1C(CC(C(C1O)O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385O[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.6C1[C@H](C(C(CC1C(=O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C7H12O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h3-6,8-10H,1-2H2,(H,11,12)/t3-,4+,5-,6-

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InChIKey

InChI 1.03SOWVWGZSLABJMC-HMWJNGDSSA-N

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PDB entries

Showing all 1 items

PDB-6h5j:
Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4

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