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- ChemComp-O7U: (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide -

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Basic information

EntryDatabase: PDB chemical components / ID: O7U
NameName: (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide

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Chemical information

Composition
Formula: C3H6N3O2P / Number of atoms: 15 / Formula weight: 147.072 / Formal charge: 0
Others

3o7u

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: O7U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3O7U
History
Create componentSep 10, 2010
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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 12.01O=C1NC=CP(=O)(N)N1
CACTVS 3.370N[P]1(=O)NC(=O)NC=C1
OpenEye OEToolkits 1.7.0C1=CP(=O)(NC(=O)N1)N

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SMILES CANONICAL

CACTVS 3.370N[P@@]1(=O)NC(=O)NC=C1
OpenEye OEToolkits 1.7.0C1=C[P@](=O)(NC(=O)N1)N

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InChI

InChI 1.03InChI=1S/C3H6N3O2P/c4-9(8)2-1-5-3(7)6-9/h1-2H,(H4,4,5,6,7,8)/t9-/m1/s1

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InChIKey

InChI 1.03GGLLBAYBJJLFCT-SECBINFHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide
OpenEye OEToolkits 1.7.0(5R)-5-azanyl-5-oxo-2,6-diaza-5$l^{5}-phosphacyclohex-3-en-1-one

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PDB entries

Showing all 2 items

PDB-3o7u:
Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with zinc and phosphono-cytosine

PDB-4r7w:
Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine

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