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- ChemComp-NDZ: (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyh... -

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Basic information

EntryDatabase: PDB chemical components / ID: NDZ
NameName: (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid

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Chemical information

Composition
Formula: C11H17NO8 / Number of atoms: 37 / Formula weight: 291.255 / Formal charge: 0
Others

2znu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NDZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZNU
History
Create componentMay 8, 2008
Modify descriptorJun 4, 2011
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 10.04O=C(O)C(N)CC2(OC1C(OCC(O)C1O)C2)C(=O)O
CACTVS 3.341N[CH](C[C]1(C[CH]2OC[CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.341N[C@@H](C[C@@]1(C[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O

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InChI

InChI 1.03InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7+,8-,11+/m0/s1

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InChIKey

InChI 1.03NRTJEXLNSCGBJU-FQYLSUDWSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)
OpenEye OEToolkits 1.5.0(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid

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PDB entries

Showing all 3 items

PDB-2znu:
Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A

PDB-3fv2:
Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with neodysiherbaine A in space group P1

PDB-3qxm:
Crystal Structure of Human GluK2 Ligand-Binding Core in Complex with Novel Marine-Derived Toxins, Neodysiherbaine A

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