EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H30N4O5S |
| Net Charge | 0 |
| Average Mass | 474.583 |
| Monoisotopic Mass | 474.19369 |
| SMILES | CC=Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cnccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O |
| InChI | InChI=1S/C23H30N4O5S/c1-5-6-18-7-8-22-20(11-18)32-21(14-26(4)23(29)19-12-24-9-10-25-19)16(2)13-27(17(3)15-28)33(22,30)31/h5-12,16-17,21,28H,13-15H2,1-4H3/t16-,17+,21-/m1/s1 |
| InChIKey | NLMWZCLTQNAKQL-LLGFUMIMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-17532 (CHEBI:106171) is a pyrazines (CHEBI:38314) |
| LSM-17532 (CHEBI:106171) is a tertiary carboxamide (CHEBI:140326) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17532 | LINCS |