EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20N4O14P3 |
| Net Charge | +1 |
| Average Mass | 537.228 |
| Monoisotopic Mass | 537.01834 |
| SMILES | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])[n+](C([H])([H])[H])c3c(=O)n([H])c(N([H])[H])c([H])c32)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H] |
| InChI | InChI=1S/C12H19N4O14P3/c1-15-4-16(5-2-7(13)14-11(19)8(5)15)12-10(18)9(17)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,17-18H,3H2,1H3,(H6-,13,14,19,20,21,22,23,24,25,26)/p+1/t6-,9-,10-,12-/m1/s1 |
| InChIKey | LPHBJZOLBGBNJF-XYHAGOFUSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE (CHEBI:47558) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| MGO | PDBeChem |