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- ChemComp-HHY: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: HHY
NameName: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

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Chemical information

Composition
Formula: C11H10N2O3 / Number of atoms: 26 / Formula weight: 218.209 / Formal charge: 0
Others

6dxt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HHY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DXT
History
Create componentJul 2, 2018
Initial releaseAug 8, 2018
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 12.01OC(=O)CCc1nnc(o1)c2ccccc2
CACTVS 3.385OC(=O)CCc1oc(nn1)c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2nnc(o2)CCC(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)CCc1oc(nn1)c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2nnc(o2)CCC(=O)O

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InChI

InChI 1.03InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)

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InChIKey

InChI 1.03CUYMDSTYUZAYFH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
OpenEye OEToolkits 2.0.63-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

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PDB entries

Showing all 1 items

PDB-6dxt:
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

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