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- ChemComp-HA7: (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carbo... -

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Basic information

EntryDatabase: PDB chemical components / ID: HA7
NameName: (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid

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Chemical information

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

3pd8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HA7 / Model coordinates PDB-ID: 3PD8
History
Create componentOct 29, 2010
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
External linksUniChem / ChemSpider / Nikkaji / 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

CACTVS 3.385OC(=O)[CH]1NCCc2c(O)noc12
OpenEye OEToolkits 1.7.5C1CNC(c2c1c(no2)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@H]1NCCc2c(O)noc12
OpenEye OEToolkits 1.7.5C1CN[C@@H](c2c1c(no2)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H8N2O4/c10-6-3-1-2-8-4(7(11)12)5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)/t4-/m0/s1

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InChIKey

InChI 1.03YRSIGIYXZNQZCI-BYPYZUCNSA-N

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PDB entries

Showing all 1 items

PDB-3pd8:
X-ray structure of the ligand-binding core of GluA2 in complex with (S)-7-HPCA at 2.5 A resolution

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