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- ChemComp-OXQ: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: OXQ
NameName: 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid

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Chemical information

Composition
Formula: C3H2N2O4 / Number of atoms: 11 / Formula weight: 130.059 / Formal charge: 0
Others

1t24

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OXQ / Model coordinates PDB-ID: 1T24
History
Create componentApr 23, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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)c1nonc1O
CACTVS 3.341OC(=O)c1nonc1O
OpenEye OEToolkits 1.5.0c1(c(non1)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)c1nonc1O
OpenEye OEToolkits 1.5.0c1(c(non1)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)

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InChIKey

InChI 1.03IBRWUZLLHSXPKL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
OpenEye OEToolkits 1.5.04-hydroxy-1,2,5-oxadiazole-3-carboxylic acid

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PDB entries

Showing all 4 items

PDB-1t24:
Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid

PDB-1t2f:
Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid

PDB-3czm:
T. Gondii bradyzoite-specific LDH (LDH2) in complex with NAD and OXQ

PDB-3om9:
T. Gondii bradyzoite-specific LDH (LDH1) in complex with NAD and OXQ

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