EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H34N4O5S |
| Net Charge | 0 |
| Average Mass | 526.659 |
| Monoisotopic Mass | 526.22499 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1 |
| InChI | InChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20-,25-/m0/s1 |
| InChIKey | JSYMGQYFJZOBEJ-RLSLOFABSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-8820 (CHEBI:97441) is a imidazoles (CHEBI:24780) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8820 | LINCS |