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- ChemComp-NRG: N-OMEGA-NITRO-L-ARGININE -

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Basic information

EntryDatabase: PDB chemical components / ID: NRG
NameName: N-omega-nitro-L-arginine / Synonyms: NNA

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Chemical information

Composition
Formula: C6H13N5O4 / Number of atoms: 28 / Formula weight: 219.199 / Formal charge: 0
Others

1ed5

Type: L-PEPTIDE LINKING / PDB classification: HETAIN / Three letter code: NRG / Model coordinates PDB-ID: 1ED5
History
Create componentJul 28, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / KEGG_Ligand / Metabolights / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 10.04[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N
CACTVS 3.341N[CH](CCCNC(=N)N[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0[H]N=C(NCCCC(C(=O)O)N)N[N+](=O)[O-]

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]

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InChI

InChI 1.03InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1

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InChIKey

InChI 1.03MRAUNPAHJZDYCK-BYPYZUCNSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 4 items

PDB-1ed5:
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(H4B FREE)

PDB-1k2r:
Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine

PDB-4uqr:
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-omega-Nitro-L-Arginine

PDB-8nse:
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, NNA COMPLEX

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