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- ChemComp-LMZ: 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: LMZ
NameName: 5-nitroso-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione

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Chemical information

Composition
Formula: C9H14N4O7 / Number of atoms: 34 / Formula weight: 290.23 / Formal charge: 0
Others

1c41

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LMZ / Model coordinates PDB-ID: 1C41
History
Create componentJul 30, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / DrugBank / Nikkaji / PubChem / 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 10.04O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O)C(=O)N1
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CNC1=C(N=O)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O

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SMILES CANONICAL

CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(N=O)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O

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InChI

InChI 1.03InChI=1S/C9H14N4O7/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1

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InChIKey

InChI 1.03YMWIHKCBRFEJMH-RPDRRWSUSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-deoxy-1-[(5-nitroso-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-D-ribitol
OpenEye OEToolkits 1.5.05-nitroso-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione

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PDB entries

Showing all 4 items

PDB-1c2y:
CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY

PDB-1c41:
CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY

PDB-1nqv:
Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 5-nitroso-6-ribityl-amino-2,4(1H,3H)pyrimidinedione

PDB-2a59:
Structure of 6,7-Dimethyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound ligand 5-nitroso-6-ribitylamino-2,4(1H,3H)-pyrimidinedione

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