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CHEBI:45966 - 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate
| Formula | C14H22N4O9P2S |
| Net Charge | 0 |
| Average Mass | 484.364 |
| Monoisotopic Mass | 484.05827 |
| SMILES | [H]O/C(=C1/SC(C([H])([H])C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])=C(C([H])([H])[H])N1C([H])([H])c1c([H])nc(C([H])([H])[H])nc1N([H])[H])C([H])([H])O[H] |
| InChI | InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/b14-11+ |
| InChIKey | LXZUEFPJZTWGEL-SDNWHVSQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate (CHEBI:45966) is a 1,3-thiazoles (CHEBI:38418) |
| 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate (CHEBI:45966) is a alkyl diphosphate (CHEBI:46731) |
| 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate (CHEBI:45966) is a aminopyrimidine (CHEBI:38338) |
| Synonyms | Source |
|---|---|
| 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate | PDBeChem |
| 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| THD | PDBeChem |