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- ChemComp-AHI: 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM -

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Basic information

EntryDatabase: PDB chemical components / ID: AHI
NameName: 3-{[(E)-amino(hydroxyimino)methyl]amino}propan-1-aminium
Synonyms: DESCARBOXY-NOR-N(OMEGA)-HYDROXY-L-ARGININE

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Chemical information

Composition
Formula: C4H13N4O / Number of atoms: 22 / Formula weight: 133.172 / Formal charge: 1
Others

1t4r

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AHI / Model coordinates PDB-ID: 1T4R
History
Create componentMay 20, 2004
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04N(/O)=C(/N)NCCC[NH3+]
CACTVS 3.341NC(NCCC[NH3+])=NO
OpenEye OEToolkits 1.5.0C(C[NH3+])CNC(=NO)N

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SMILES CANONICAL

CACTVS 3.341N\C(NCCC[NH3+])=N/O
OpenEye OEToolkits 1.5.0C(C[NH3+])CN/C(=N/O)/N

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InChI

InChI 1.03InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1

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InChIKey

InChI 1.03HYBLXYGPQAIGPY-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 10.043-(N''-hydroxycarbamimidamido)propan-1-aminium
OpenEye OEToolkits 1.5.03-[(N'-hydroxycarbamimidoyl)amino]propylazanium

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PDB entries

Showing all 1 items

PDB-1t4r:
arginase-descarboxy-nor-NOHA complex

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