EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H29N5O5S |
| Net Charge | 0 |
| Average Mass | 475.571 |
| Monoisotopic Mass | 475.18894 |
| SMILES | Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)O[C@@H]2CO)c1 |
| InChI | InChI=1S/C22H29N5O5S/c1-25-14-21(23-16-25)33(30,31)24-19-8-7-18(32-20(19)15-28)13-22(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,14,16,18-20,24,28H,9-13,15H2,1H3/t18-,19-,20+/m0/s1 |
| InChIKey | ADNYLXRIKBBTKJ-SLFFLAALSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:101203) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12572 | LINCS |