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- ChemComp-NEB: 2-DEOXY-D-STREPTAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: NEB
NameName: 2-deoxy-D-streptamine

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Chemical information

Composition
Formula: C6H15N2O3 / Number of atoms: 26 / Formula weight: 163.195 / Formal charge: 1
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: NEB / Ideal coordinates details: Corina
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
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 10.04OC1C(N)CC(C(O)C1O)[NH3+]
CACTVS 3.385N[CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.5C1C(C(C(C(C1N)O)O)O)[NH3+]

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SMILES CANONICAL

CACTVS 3.385N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.5C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]

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InChI

InChI 1.03InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1/t2-,3+,4+,5-,6-

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InChIKey

InChI 1.03DTFAJAKTSMLKAT-JDCCYXBGSA-O

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SYSTEMATIC NAME

ACDLabs 10.04(1R,2S,3R,4R,5S)-5-amino-2,3,4-trihydroxycyclohexanaminium
OpenEye OEToolkits 1.5.0[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxy-cyclohexyl]azanium

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Saccharide-RNA recognition in the neomycin B / RNA aptamer complex

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