EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | K.C4H6NO4.K.H2O.Mg.C4H5NO4.C4H6NO4.H2O.H2O.H2O.H2O |
| Net Charge | 0 |
| Average Mass | 587.853 |
| Monoisotopic Mass | 587.04650 |
| SMILES | N[C@@H](CC(=O)[O-])C(=O)O.N[C@@H](CC(=O)[O-])C(=O)O.N[C@@H](CC(=O)[O-])C(=O)[O-].O.O.O.O.O.[K+].[K+].[Mg+2] |
| InChI | InChI=1S/3C4H7NO4.2K.Mg.5H2O/c3*5-2(4(8)9)1-3(6)7;;;;;;;;/h3*2H,1,5H2,(H,6,7)(H,8,9);;;;5*1H2/q;;;2*+1;+2;;;;;/p-4/t3*2-;;;;;;;;/m000......../s1 |
| InChIKey | PFGPOPYOCNOUMS-KXAAMTCKSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| potassium aspartate and magnesium aspartate (CHEBI:756077) has functional parent pentacarboxylic acid (CHEBI:35743) |
| potassium aspartate and magnesium aspartate (CHEBI:756077) is a organooxygen compound (CHEBI:36963) |
| Synonyms | Source |
|---|---|
| Potassium aspartate and magnesium aspartate | ChEMBL |
| WY-2837 | ChEMBL |
| WY-2838 | ChEMBL |