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- ChemComp-CYY: 2-DEOXYSTREPTAMINE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: CYY
NameName: 2-deoxystreptamine

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Chemical information

Composition
Formula: C6H14N2O3 / Number of atoms: 25 / Formula weight: 162.187 / Formal charge: 0
Others

1qd3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CYY / Model coordinates PDB-ID: 1QD3
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / KEGG_Ligand / Nikkaji / PubChem_TPharma / SureChEMBL / ZINC / 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(N)C(O)C1O
CACTVS 3.341N[CH]1C[CH](N)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(C1N)O)O)O)N

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SMILES CANONICAL

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

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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/t2-,3+,4+,5-,6-

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InChIKey

InChI 1.03DTFAJAKTSMLKAT-JDCCYXBGSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol
OpenEye OEToolkits 1.5.0(1S,3R,4S,6R)-4,6-diaminocyclohexane-1,2,3-triol

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PDB entries

Showing all 2 items

PDB-1pbr:
STRUCTURE OF 16S RIBOSOMAL RNA, NMR, MINIMIZED AVERAGE STRUCTURE

PDB-1qd3:
HIV-1 TAR RNA/NEOMYCIN B COMPLEX

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