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CHEBI:44755 - ((2S,3aS,4R,6S)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid
| Formula | C13H16N3O8P |
| Net Charge | 0 |
| Average Mass | 373.258 |
| Monoisotopic Mass | 373.06750 |
| SMILES | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(c2c([H])n([H])c3c(=O)n([H])c([H])nc23)[C@]2([H])O[C@]([H])(C([H])([H])P(=O)(O[H])O[H])O[C@@]21[H] |
| InChI | InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1 |
| InChIKey | ZOEDLCUBOBTIHG-USQSKNHBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ((2S,3aS,4R,6S)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid (CHEBI:44755) has functional parent phosphonic acid (CHEBI:44976) |
| ((2S,3aS,4R,6S)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid (CHEBI:44755) is a furodioxole (CHEBI:48395) |
| ((2S,3aS,4R,6S)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid (CHEBI:44755) is a pyrrolopyrimidine (CHEBI:38670) |
| Synonyms | Source |
|---|---|
| ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID | PDBeChem |
| (1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| P1D | PDBeChem |