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- ChemComp-I2I: molecular iodine -

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Basic information

EntryDatabase: PDB chemical components / ID: I2I
NameName: molecular iodine

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Chemical information

Composition
Formula: I2 / Number of atoms: 2 / Formula weight: 253.809 / Formal charge: 0
Others

4r1t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: I2I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4R1T
History
Create componentSep 5, 2014
Initial releaseOct 1, 2014
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 12.01II
CACTVS 3.385II
OpenEye OEToolkits 1.7.6II

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SMILES CANONICAL

CACTVS 3.385II
OpenEye OEToolkits 1.7.6II

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InChI

InChI 1.03InChI=1S/I2/c1-2

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InChIKey

InChI 1.03PNDPGZBMCMUPRI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01iodine
OpenEye OEToolkits 1.7.6molecular iodine

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PDB entries

Showing all 3 items

PDB-4r1t:
Crystal structure of Petunia hydrida cinnamoyl-CoA reductase

PDB-6pkg:
Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide

PDB-6uio:
Crystal structure of mouse CRES (Cystatin-Related Epididymal Spermatogenic)

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