UEP
6-ethyluridine 5'-phosphate
Created: | 2008-10-23 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 40 |
Chiral Atom Count | 4 |
Bond Count | 41 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 6-ethyluridine 5'-phosphate |
Synonyms | 6-ethyl-UMP |
Systematic Name (OpenEye OEToolkits) | [(2R,3S,4R,5R)-5-(6-ethyl-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Formula | C11 H17 N2 O9 P |
Molecular Weight | 352.234 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O |
SMILES | CACTVS | 3.341 | CCC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O |
Canonical SMILES | CACTVS | 3.341 | CCC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCC1=CC(=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/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1 |
InChIKey | InChI | 1.03 | SVESMKHPINYNGL-PEBGCTIMSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867790 |