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- ChemComp-Q1Z: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: Q1Z
NameName: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid

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Chemical information

Composition
Formula: C6H8O5 / Number of atoms: 19 / Formula weight: 160.125 / Formal charge: 0
Others

6yyv

Type: non-polymer / PDB classification: HETAIN / Three letter code: Q1Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YYV
History
Create componentMay 6, 2020
Initial releaseMar 17, 2021
External linksUniChem / ChemSpider / 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 3.385C[CH](CC(O)=O)C(=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(CC(=O)O)C(=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385C[C@H](CC(O)=O)C(=O)C(O)=O
OpenEye OEToolkits 2.0.7C[C@H](CC(=O)O)C(=O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H8O5/c1-3(2-4(7)8)5(9)6(10)11/h3H,2H2,1H3,(H,7,8)(H,10,11)/t3-/m1/s1

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InChIKey

InChI 1.03BJQIUPTURRAODO-GSVOUGTGSA-N

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PDB entries

Showing all 3 items

PDB-6yyv:
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 3-methyl-2-oxoglutarate

PDB-6yyx:
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)

PDB-8re8:
Aspartyl/Asparaginyl beta-hydroxylase (AspH) R688Q variant in complex with Mn, (3R)-methyl-2-oxoglutarate and a Factor X derived peptide fragment

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