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- ChemComp-UQK: N-oxalyl-alpha-methylalanine -

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Basic information

EntryDatabase: PDB chemical components / ID: UQK
NameName: N-oxalyl-alpha-methylalanine / Synonyms: 2-(carboxycarbonylamino)-2-methyl-propanoic acid

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Chemical information

Composition
Formula: C6H9NO5 / Number of atoms: 21 / Formula weight: 175.139 / Formal charge: 0
Others

6z6r

ALA

Type: non-polymer / PDB classification: HETAIN / Three letter code: UQK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Z6R / Parent comp.: ALA
History
Create componentMar 9, 2021
Initial releaseMar 17, 2021
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

CACTVS 3.385CC(C)(NC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)(C(=O)O)NC(=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385CC(C)(NC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)(C(=O)O)NC(=O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H9NO5/c1-6(2,5(11)12)7-3(8)4(9)10/h1-2H3,(H,7,8)(H,9,10)(H,11,12)

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InChIKey

InChI 1.03ISTWWSBLMQHYIQ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6z6r:
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)

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