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- ChemComp-D3O: trideuteriooxidanium -

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Basic information

EntryDatabase: PDB chemical components / ID: D3O
NameName: trideuteriooxidanium / Synonyms: perdeuterated oxonium

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Chemical information

Composition
Formula: D3O / Number of atoms: 4 / Formula weight: 22.042 / Formal charge: 1
Others

4ar3

Type: non-polymer / PDB classification: HETAIN / Three letter code: D3O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AR3
History
Create componentApr 20, 2012
Initial releaseJan 11, 2013
Modify descriptorSep 5, 2014
Modify synonymsJun 5, 2020
Modify formulaJun 1, 2021
External linksUniChem / ChemSpider / PubChem / 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 12.01[2H][O+]([2H])[2H]
CACTVS 3.385[O+]([2H])([2H])[2H]
OpenEye OEToolkits 1.9.2[2H][O+]([2H])[2H]

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SMILES CANONICAL

CACTVS 3.385[O+]([2H])([2H])[2H]
OpenEye OEToolkits 1.9.2[2H][O+]([2H])[2H]

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InChI

InChI 1.03InChI=1S/H2O/h1H2/p+1/i/hD3

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InChIKey

InChI 1.03XLYOFNOQVPJJNP-ZRLBSURWSA-O

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SYSTEMATIC NAME

ACDLabs 12.01(~2~H_3_)oxonium
OpenEye OEToolkits 1.9.2trideuteriooxidanium

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PDB entries

Showing all 5 items

PDB-4ar3:
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.

PDB-4ar4:
Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.

PDB-4qcd:
Neutron crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha at room temperature.

PDB-6l26:
Neutron crystal structure of the mutant green fluorescent protein (EGFP)

PDB-7vos:
High-resolution neutron and X-ray joint refined structure of high-potential iron-sulfur protein in the oxidized state

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