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- ChemComp-HA5: (5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carbo... -

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Basic information

EntryDatabase: PDB chemical components / ID: HA5
NameName: (5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid

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Chemical information

Composition
Formula: C7H8N2O4 / Number of atoms: 21 / Formula weight: 184.149 / Formal charge: 0
Others

3pd9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HA5 / Model coordinates PDB-ID: 3PD9
History
Create componentOct 29, 2010
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC(=O)[CH]1Cc2c(O)noc2CN1
OpenEye OEToolkits 1.7.5C1c2c(onc2O)CNC1C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@H]1Cc2c(O)noc2CN1
OpenEye OEToolkits 1.7.5C1c2c(onc2O)CN[C@H]1C(=O)O

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InChI

InChI 1.03InChI=1S/C7H8N2O4/c10-6-3-1-4(7(11)12)8-2-5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)/t4-/m1/s1

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InChIKey

InChI 1.03QOFAMUTZWHXYLI-SCSAIBSYSA-N

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PDB entries

Showing all 1 items

PDB-3pd9:
X-ray structure of the ligand-binding core of GluA2 in complex with (R)-5-HPCA at 2.1 A resolution

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