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- ChemComp-HKR: 1-propylimidazole-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: HKR
NameName: 1-propylimidazole-2-carboxylic acid

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Chemical information

Composition
Formula: C7H10N2O2 / Number of atoms: 21 / Formula weight: 154.166 / Formal charge: 0
Others

7du1

Type: non-polymer / PDB classification: HETAIN / Three letter code: HKR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7DU1
History
Create componentJan 19, 2021
Initial releaseJan 19, 2022
External linksUniChem / ChemSpider / ChEMBL / 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

CACTVS 3.385CCCn1ccnc1C(O)=O
OpenEye OEToolkits 2.0.7CCCn1ccnc1C(=O)O

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SMILES CANONICAL

CACTVS 3.385CCCn1ccnc1C(O)=O
OpenEye OEToolkits 2.0.7CCCn1ccnc1C(=O)O

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InChI

InChI 1.03InChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h3,5H,2,4H2,1H3,(H,10,11)

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InChIKey

InChI 1.03UYQIJWNHWBWSBU-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7du1:
Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid

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