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- ChemComp-TOB: 1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE -

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Basic information

EntryDatabase: PDB chemical components / ID: TOB
NameName: 1,3-diamino-5,6-dihydroxycyclohexane

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Chemical information

Composition
Formula: C6H16N2O2 / Number of atoms: 26 / Formula weight: 148.203 / Formal charge: 2
Others

1tob

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TOB / Model coordinates PDB-ID: 1TOB
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / 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 10.04OC1CC([NH3+])CC([NH3+])C1O
CACTVS 3.341[NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)C1
OpenEye OEToolkits 1.5.0C1C(CC(C(C1[NH3+])O)O)[NH3+]

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SMILES CANONICAL

CACTVS 3.341[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)C1
OpenEye OEToolkits 1.5.0C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+]

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InChI

InChI 1.03InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6-/m0/s1

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InChIKey

InChI 1.03QOLDZWBHLDQIJR-FSIIMWSLSA-P

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SYSTEMATIC NAME

ACDLabs 10.04(1S,3R,4S,5S)-4,5-dihydroxycyclohexane-1,3-diaminium
OpenEye OEToolkits 1.5.0[(1R,2S,3S,5S)-5-azaniumyl-2,3-dihydroxy-cyclohexyl]azanium

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PDB entries

Showing all 1 items

PDB-1tob:
SACCHARIDE-RNA RECOGNITION IN AN AMINOGLYCOSIDE ANTIBIOTIC-RNA APTAMER COMPLEX, NMR, 7 STRUCTURES

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