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CHEBI:42708 - 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-β-D-ribofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one
| Formula | C18H24N6O9P |
| Net Charge | +1 |
| Average Mass | 499.397 |
| Monoisotopic Mass | 499.13369 |
| SMILES | [H]O[C@@]1([H])C([H])([H])[C@]([H])(n2c([H])c3c(nc2=O)N([H])c2c(c([H])c([H])c([H])c2OC([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])O3)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H] |
| InChI | InChI=1S/C18H23N6O9P/c19-17(20)21-4-5-30-10-2-1-3-11-15(10)22-16-12(32-11)7-24(18(26)23-16)14-6-9(25)13(33-14)8-31-34(27,28)29/h1-3,7,9,13-14,25H,4-6,8H2,(H4,19,20,21)(H,22,23,26)(H2,27,28,29)/p+1/t9-,13+,14+/m0/s1 |
| InChIKey | GCBWWBGDWVGEAS-CUOATXAZSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-β-D-ribofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one (CHEBI:42708) is a N-glycosyl compound (CHEBI:21731) |
| 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-β-D-ribofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one (CHEBI:42708) is a 2-deoxyribose phosphate (CHEBI:19569) |
| 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-β-D-ribofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one (CHEBI:42708) is a guanidines (CHEBI:24436) |
| 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-β-D-ribofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one (CHEBI:42708) is a pyrimidobenzoxazine (CHEBI:48134) |
| Synonyms | Source |
|---|---|
| PHOSPHORIC ACID 9-(2-GUANIDINOETHOXY-3-(2-DEOXY-BETA-D-ERYTHROPENTOFURANOSYL))-3H-PYRIMIDO-[5,4-B][1,4]-BENZOOXAZIN-2-ONE]-5'-ESTER | PDBeChem |
| 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| GCK | PDBeChem |