EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C4H6O4.C31H42N6O4.C31H42N6O4.C4H6O4.C4H6O4 |
| Net Charge | 0 |
| Average Mass | 1479.694 |
| Monoisotopic Mass | 1478.73333 |
| SMILES | CCOC1(c2ccc(-c3cc4c(N5CCN(C(=O)O[C@@H]6CCOC6)CC5)ccnn4c3)nc2)CCN(C(C)C)CC1.CCOC1(c2ccc(-c3cc4c(N5CCN(C(=O)O[C@@H]6CCOC6)CC5)ccnn4c3)nc2)CCN(C(C)C)CC1.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O |
| InChI | InChI=1S/2C31H42N6O4.3C4H6O4/c2*1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26;3*5-3(6)1-2-4(7)8/h2*5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3;3*1-2H2,(H,5,6)(H,7,8)/t2*26-;;;/m11.../s1 |
| InChIKey | WUHJTXWYFLNEIJ-NPNRTHNGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fidrisertib succinate (CHEBI:760304) has functional parent pentacarboxylic acid (CHEBI:35743) |
| fidrisertib succinate (CHEBI:760304) is a organooxygen compound (CHEBI:36963) |
| Synonyms | Source |
|---|---|
| BLU-782 sesquisuccinate | ChEMBL |
| Fidrisertib succinate | ChEMBL |