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- ChemComp-HHI: (2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: HHI
NameName: (2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid

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Chemical information

Composition
Formula: C6H7N3O2 / Number of atoms: 18 / Formula weight: 153.139 / Formal charge: 0
Others

3nyf

HIS

Type: PEPTIDE LINKING / PDB classification: ATOMP / One letter code: H / Three letter code: HHI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3NYF / Parent comp.: HIS
History
Create componentJul 20, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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 12.01O=C(O)C(=[N@H])Cc1cncn1
CACTVS 3.370OC(=O)C(=N)Cc1[nH]cnc1
OpenEye OEToolkits 1.7.0c1c([nH]cn1)CC(=N)C(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)C(=N)Cc1[nH]cnc1
OpenEye OEToolkits 1.7.0[H]/N=C(/Cc1cnc[nH]1)\C(=O)O

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InChI

InChI 1.03InChI=1S/C6H7N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,7H,1H2,(H,8,9)(H,10,11)/b7-5+

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InChIKey

InChI 1.03KOGKMQJSUUSGFN-FNORWQNLSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid
OpenEye OEToolkits 1.7.03-(1H-imidazol-5-yl)-2-imino-propanoic acid

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PDB entries

Showing all 1 items

PDB-3nyf:
Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase in Complex with Imino-Histidine

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