EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:41442 - CALYSTEGINE B2
| Formula | C7H13NO4 |
| Net Charge | 0 |
| Average Mass | 175.184 |
| Monoisotopic Mass | 175.08446 |
| SMILES | [H]O[C@@]1([H])[C@]([H])(O[H])[C@@]2(O[H])N([H])[C@]([H])(C([H])([H])C2([H])[H])[C@]1([H])O[H] |
| InChI | InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1 |
| InChIKey | FXFBVZOJVHCEDO-IBISWUOJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CALYSTEGINE B2 (CHEBI:41442) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol | PDBeChem |
| CALYSTEGINE B2 | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| CGB | PDBeChem |