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CHEBI:45057 - 5'-O-{(S)-hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine
| Formula | C18H30N4O15P2 |
| Net Charge | 0 |
| Average Mass | 604.399 |
| Monoisotopic Mass | 604.11829 |
| SMILES | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])c([H])c(N([H])[H])nc2=O)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])OC(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H] |
| InChI | InChI=1S/C18H30N4O15P2/c1-18(2,8-35-38(29,30)31)14(26)15(27)20-5-3-11(23)37-39(32,33)34-7-9-12(24)13(25)16(36-9)22-6-4-10(19)21-17(22)28/h4,6,9,12-14,16,24-26H,3,5,7-8H2,1-2H3,(H,20,27)(H,32,33)(H2,19,21,28)(H2,29,30,31)/t9-,12-,13-,14+,16-/m1/s1 |
| InChIKey | JURRMAHLXBVXRF-FIEZRUJPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5'-O-{(S)-hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine (CHEBI:45057) is a cytidine 5'-phosphate (CHEBI:23521) |
| 5'-O-{(S)-hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine (CHEBI:45057) is a monocarboxylic acid amide (CHEBI:29347) |
| 5'-O-{(S)-hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine (CHEBI:45057) is a pyrimidine ribonucleoside 5'-monophosphate (CHEBI:39457) |
| Synonyms | Source |
|---|---|
| PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER | PDBeChem |
| 5'-O-{(S)-hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| PMT | PDBeChem |