EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H27N8O8PS |
| Net Charge | 0 |
| Average Mass | 630.580 |
| Monoisotopic Mass | 630.14102 |
| SMILES | Cn1ccc(S(=O)(=O)N2CCC[C@@H](Nc3nccc(-c4c(-c5cccc(OCOP(=O)(O)O)c5)nc5occn45)n3)C2)n1 |
| InChI | InChI=1S/C25H27N8O8PS/c1-31-11-8-21(30-31)43(37,38)32-10-3-5-18(15-32)27-24-26-9-7-20(28-24)23-22(29-25-33(23)12-13-39-25)17-4-2-6-19(14-17)40-16-41-42(34,35)36/h2,4,6-9,11-14,18H,3,5,10,15-16H2,1H3,(H,26,27,28)(H2,34,35,36)/t18-/m1/s1 |
| InChIKey | GBXJAPBXPROFPY-GOSISDBHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| arq-736 free acid (CHEBI:759824) is a imidazoles (CHEBI:24780) |