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- ChemComp-DTN: DITHIONITE -

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Basic information

EntryDatabase: PDB chemical components / ID: DTN
NameName: dithionite

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Chemical information

Composition
Formula: O4S2 / Number of atoms: 6 / Formula weight: 128.128 / Formal charge: -2
Others

1ft6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DTN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1FT6
History
Create componentSep 12, 2000
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
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 10.04[O-]S(=O)S([O-])=O
CACTVS 3.385[O-][S](=O)[S]([O-])=O
OpenEye OEToolkits 1.7.5[O-]S(=O)S(=O)[O-]

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SMILES CANONICAL

CACTVS 3.385[O-][S](=O)[S]([O-])=O
OpenEye OEToolkits 1.7.5[O-]S(=O)S(=O)[O-]

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InChI

InChI 1.03InChI=1S/H2O4S2/c1-5(2)6(3)4/h(H,1,2)(H,3,4)/p-2

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InChIKey

InChI 1.03GRWZHXKQBITJKP-UHFFFAOYSA-L

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SYSTEMATIC NAME

ACDLabs 10.04dithionite

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PDB entries

Showing all 4 items

PDB-1ft6:
REDUCED STATE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA

PDB-4rkn:
Wolinella succinogenes octaheme sulfite reductase MccA, form II

PDB-6ehs:
E. coli Hydrogenase-2 chemically reduced structure

PDB-6rp5:
Crystal structure of monocarboxylated hemoglobin from the sub-Antarctic fish Eleginops maclovinus

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