EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C4H6O6.C22H22FN3O2S |
| Net Charge | 0 |
| Average Mass | 561.588 |
| Monoisotopic Mass | 561.15811 |
| SMILES | O=C(O)C(O)C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)nc3ccccc3c2=O)CC1 |
| InChI | InChI=1S/C22H22FN3O2S.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10) |
| InChIKey | VZGOQPXIRAHJLV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| altanserin tartrate (CHEBI:755054) is a aromatic ketone (CHEBI:76224) |
| Synonyms | Source |
|---|---|
| Altanserin tartrate | ChEMBL |
| R-53,200 | ChEMBL |
| R-53200 | ChEMBL |