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- ChemComp-OXS: 2-OXALOSUCCINIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: OXS
NameName: 2-oxalosuccinic acid

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Chemical information

Composition
Formula: C6H6O7 / Number of atoms: 19 / Formula weight: 190.108 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: OXS
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / DrugBank / HMDB / Metabolights / PubChem / ZINC / 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)CC(C(=O)C(=O)O)C(=O)O
CACTVS 3.341OC(=O)C[CH](C(O)=O)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)C(=O)O)C(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)C[C@H](C(O)=O)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-/m0/s1

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InChIKey

InChI 1.03UFSCUAXLTRFIDC-REOHCLBHSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-1-oxopropane-1,2,3-tricarboxylic acid
OpenEye OEToolkits 1.5.0(2S)-1-oxopropane-1,2,3-tricarboxylic acid

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PDB entries

Showing all 1 items

PDB-1idc:
ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY

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