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- ChemComp-MAK: ALPHA-KETOMALONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: MAK
NameName: alpha-ketomalonic acid

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Chemical information

Composition
Formula: C3H2O5 / Number of atoms: 10 / Formula weight: 118.045 / Formal charge: 0
Others

5mdh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MAK / Model coordinates PDB-ID: 5MDH
History
Create componentJul 8, 1999
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(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)

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InChIKey

InChI 1.03XEEVLJKYYUVTRC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04oxopropanedioic acid
OpenEye OEToolkits 1.5.02-oxopropanedioic acid

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PDB entries

Showing all 3 items

PDB-1efk:
STRUCTURE OF HUMAN MALIC ENZYME IN COMPLEX WITH KETOMALONATE

PDB-2bex:
Crystal structure of Placental Ribonuclease Inhibitor in complex with Human Eosinophil Derived Neurotoxin at 2A resolution

PDB-5mdh:
CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC MALATE DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS RESOLUTION

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