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- ChemComp-D1O: tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II) -

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Basic information

EntryDatabase: PDB chemical components / ID: D1O
NameName: tri-(mi2-acetato-(O, O')-diaqua-dirhodium(ii, ii)

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Chemical information

Composition
Formula: C6H14O8Rh2 / Number of atoms: 30 / Formula weight: 419.982 / Formal charge: 0
Others

7qhr

Type: non-polymer / PDB classification: HETAIN / Three letter code: D1O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QHR
History
Create componentDec 14, 2021
Modify nameMar 30, 2022
Initial releaseJun 8, 2022
Modify descriptorAug 22, 2022
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 3.385C[CH]1O[Rh]23(O)O[CH](C)O[Rh]2(O)(O1)O[CH](C)O3
OpenEye OEToolkits 2.0.7CC1O[Rh]23(OC(O[Rh]2(O1)(OC(O3)C)O)C)O

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SMILES CANONICAL

CACTVS 3.385C[C@H]1O[Rh]23(O)O[C@@H](C)O[Rh]2(O)(O1)O[C@H](C)O3
OpenEye OEToolkits 2.0.7CC1O[Rh]23(OC(O[Rh]2(O1)(OC(O3)C)O)C)O

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InChI

InChI 1.06InChI=1S/3C2H4O2.2H2O.2Rh/c3*1-2(3)4;;;;/h3*2H,1H3;2*1H2;;/q3*-2;;;2*+4/p-2

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InChIKey

InChI 1.06WOIABTFBXKXYRQ-UHFFFAOYSA-L

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PDB entries

Showing all 4 items

PDB-7qhr:
Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry

PDB-8oqc:
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)

PDB-8oqd:
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)

PDB-8oqe:
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (6 h soaking)

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