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- ChemComp-LN5: N5-(1-iminopropyl)-L-ornithine -

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Basic information

EntryDatabase: PDB chemical components / ID: LN5
NameName: N5-(1-iminopropyl)-L-ornithine
Synonyms: (2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid

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Chemical information

Composition
Formula: C8H17N3O2 / Number of atoms: 30 / Formula weight: 187.239 / Formal charge: 0
Others

3i4a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LN5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3I4A
History
Create componentJul 7, 2009
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
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 10.04O=C(O)C(N)CCCNC(=[N@H])CC
CACTVS 3.341CCC(=N)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0[H]N=C(CC)NCCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341CCC(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1

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InChIKey

InChI 1.03ZYIBCZWVLDODOL-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~5~-[(1Z)-propanimidoyl]-L-ornithine
OpenEye OEToolkits 1.5.0(2S)-2-amino-5-(propanimidoylamino)pentanoic acid

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PDB entries

Showing all 1 items

PDB-3i4a:
Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine

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