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CHEBI:226641 - Agrocin 108
| Formula | C20H29N4O16P |
| Net Charge | 0 |
| Average Mass | 612.438 |
| Monoisotopic Mass | 612.13162 |
| SMILES | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC3=C(O)[C@@](N)(CO)[C@@H](O)C3=O)[C@@H](OC3OC[C@@H](O)C(O)[C@H]3O)[C@H]2O)c(=O)n1 |
| InChI | InChI=1S/C20H29N4O16P/c21-8-1-2-24(19(33)23-8)17-12(30)13(39-18-10(28)9(27)6(26)3-36-18)7(38-17)4-37-41(34,35)40-14-11(29)15(31)20(22,5-25)16(14)32/h1-2,6-7,9-10,12-13,15,17-18,25-28,30-32H,3-5,22H2,(H,34,35)(H2,21,23,33)/t6-,7-,9?,10-,12-,13-,15+,17-,18?,20-/m1/s1 |
| InChIKey | YUMCOBIDABFYCR-HHLCLMOPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rhizobium (ncbitaxon:379) | - | PubMed (29348528) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Agrocin 108 (CHEBI:226641) is a pyrimidine ribonucleoside monophosphate (CHEBI:26443) |
| IUPAC Name |
|---|
| [(3R,4R)-3-amino-2,4-dihydroxy-3-(hydroxymethyl)-5-oxocyclopenten-1-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]methyl hydrogen phosphate |
| Manual Xrefs | Databases |
|---|---|
| 78443619 | ChemSpider |