EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N3O9P |
| Net Charge | 0 |
| Average Mass | 401.268 |
| Monoisotopic Mass | 401.06242 |
| SMILES | [H]O[C@@]1([H])C([H])([H])[C@]([H])(n2c([H])c(C(=O)N([H])[H])c3c([H])c([N+](=O)[O-])c([H])c([H])c32)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H] |
| InChI | InChI=1S/C14H16N3O9P/c15-14(19)9-5-16(10-2-1-7(17(20)21)3-8(9)10)13-4-11(18)12(26-13)6-25-27(22,23)24/h1-3,5,11-13,18H,4,6H2,(H2,15,19)(H2,22,23,24)/t11-,12+,13+/m0/s1 |
| InChIKey | AWLFWQPJPLUSDJ-YNEHKIRRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2-deoxy-5-O-phosphono-β-D-ribosyl)-5-nitro-1H-indole-3-carboxamide (CHEBI:44338) is a C-nitro compound (CHEBI:35716) |
| 1-(2-deoxy-5-O-phosphono-β-D-ribosyl)-5-nitro-1H-indole-3-carboxamide (CHEBI:44338) is a N-glycosyl compound (CHEBI:21731) |
| 1-(2-deoxy-5-O-phosphono-β-D-ribosyl)-5-nitro-1H-indole-3-carboxamide (CHEBI:44338) is a 2-deoxyribose phosphate (CHEBI:19569) |
| 1-(2-deoxy-5-O-phosphono-β-D-ribosyl)-5-nitro-1H-indole-3-carboxamide (CHEBI:44338) is a indolecarboxamide (CHEBI:46921) |
| Synonyms | Source |
|---|---|
| 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE | PDBeChem |
| 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole-3-carboxamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| NCX | PDBeChem |