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UZR : Summary
Code
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UZR
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One-letter code
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U
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Molecule name
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2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate
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Systematic names
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Formula
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C9 H13 N5 O8 P
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Formal charge
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1
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Molecular weight
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350.202 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(\N=[N+]=[N@H])C2O |
SMILES
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CACTVS |
3.370 |
O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1N=[N+]=N)N2C=CC(=O)NC2=O |
SMILES
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OpenEye OEToolkits |
1.7.2 |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N=[N+]=N |
Canonical SMILES
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CACTVS |
3.370 |
O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@H]([C@@H]1N=[N+]=N)N2C=CC(=O)NC2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N |
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IUPAC InChI | InChI=1S/C9H12N5O8P/c10-13-12-6-7(16)4(3-21-23(18,19)20)22-8(6)14-2-1-5(15)11-9(14)17/h1-2,4,6-8,10,16H,3H2,(H2-,11,15,17,18,19,20)/p+1/t4-,6-,7-,8-/m1/s1 |
IUPAC InChI key | FKBDCNLBVFTTRL-XVFCMESISA-O |
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wwPDB Information |
Atom count
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36 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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Yes
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Standard parent
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U
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Defined at
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2011-06-08
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Last modified at
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2012-04-06
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Status
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Released
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Obsoleted
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Not Assigned
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