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- ChemComp-NWG: 5-[(diaminomethylidene)amino]-2-oxopentanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: NWG
NameName: 5-[(diaminomethylidene)amino]-2-oxopentanoic acid

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Chemical information

Composition
Formula: C6H11N3O3 / Number of atoms: 23 / Formula weight: 173.17 / Formal charge: 0
Others

6p35

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NWG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6P35
History
Create componentMay 29, 2019
Initial releaseMay 27, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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

ACDLabs 12.01C(=O)(C(O)=O)CCC\N=C(/N)N
CACTVS 3.385NC(N)=NCCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)C(=O)O)CN=C(N)N

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SMILES CANONICAL

CACTVS 3.385NC(N)=NCCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)C(=O)O)CN=C(N)N

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InChI

InChI 1.03InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)

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InChIKey

InChI 1.03ARBHXJXXVVHMET-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-[(diaminomethylidene)amino]-2-oxopentanoic acid
OpenEye OEToolkits 2.0.75-[bis(azanyl)methylideneamino]-2-oxidanylidene-pentanoic acid

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PDB entries

Showing all 2 items

PDB-6p35:
2.5 Angstrom structure of wild type Glyoxylate/Hydroxypyruvate reductase A from Escherichia Coli in complex with 2-keto arginine and NADP

PDB-8rvc:
Crystal structure of alpha keto acid C-methyl-transferases MrsA bound to ketoarginine

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