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CHEBI:222564 - Tyrocitabine-697
| Formula | C28H37N6O13P |
| Net Charge | 0 |
| Average Mass | 696.607 |
| Monoisotopic Mass | 696.21562 |
| SMILES | CCCC(=O)OC1C(COP(=O)(O)OC23OC(CNC2Cc2ccc(O)cc2)C(C(O)CO)O3)OC(n2cnc3c(N)ncnc32)C1O |
| InChI | InChI=1S/C28H37N6O13P/c1-2-3-20(38)44-24-18(43-27(22(24)39)34-13-33-21-25(29)31-12-32-26(21)34)11-42-48(40,41)47-28-19(8-14-4-6-15(36)7-5-14)30-9-17(45-28)23(46-28)16(37)10-35/h4-7,12-13,16-19,22-24,27,30,35-37,39H,2-3,8-11H2,1H3,(H,40,41)(H2,29,31,32) |
| InChIKey | ZCZDHWYZZCUQGE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lactobacillus iners LEAF 2052A-d (ncbitaxon:879302) | - | PubMed (35366417) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tyrocitabine-697 (CHEBI:222564) is a purine ribonucleoside monophosphate (CHEBI:26397) |