EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H7BrN2O4 |
| Net Charge | 0 |
| Average Mass | 251.036 |
| Monoisotopic Mass | 249.95892 |
| SMILES | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])c1onc(O[H])c1Br |
| InChI | InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)/t2-/m0/s1 |
| InChIKey | JRTOQOAGTSUNHA-REOHCLBHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID (CHEBI:47262) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 3-(4-bromo-3-hydroxyisoxazol-5-yl)alanine | PDBeChem |
| (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| BRH | PDBeChem |