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- ChemComp-OAA: OXALOACETATE ION -

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Basic information

EntryDatabase: PDB chemical components / ID: OAA
NameName: oxaloacetate ion

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Chemical information

Composition
Formula: C4H3O5 / Number of atoms: 12 / Formula weight: 131.064 / Formal charge: -1
Others

1csh

Type: NON-POLYMER / PDB classification: HETAI / Three letter code: OAA / Model coordinates PDB-ID: 1CSH
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / 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

ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]

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SMILES CANONICAL

CACTVS 3.341OC(=O)C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]

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InChI

InChI 1.03InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1

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InChIKey

InChI 1.03KHPXUQMNIQBQEV-UHFFFAOYSA-M

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SYSTEMATIC NAME

ACDLabs 10.043-carboxy-3-oxopropanoate
OpenEye OEToolkits 1.5.04-hydroxy-3,4-dioxo-butanoate

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