PSU
PSEUDOURIDINE-5'-MONOPHOSPHATE
Created: | 1999-07-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 4 |
Bond Count | 35 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | PSEUDOURIDINE-5'-MONOPHOSPHATE |
Systematic Name (OpenEye OEToolkits) | [(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Formula | C9 H13 N2 O9 P |
Molecular Weight | 324.181 |
Type | RNA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O |
SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)COP(=O)(O)O)O)O |
Canonical SMILES | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1 |
InChIKey | InChI | 1.03 | MOBMOJGXNHLLIR-GBNDHIKLSA-N |
Drug Info: DrugBank
DrugBank ID | DB03829 |
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Name | Pseudouridine-5'-Monophosphate |
Groups | experimental |
Synonyms | Pseudouridine-5'-Monophosphate |
Related Resource References
Resource Name | Reference |
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PubChem | 5280405, 439424 |
ChEBI | CHEBI:18116 |