EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H23N3O3S |
| Net Charge | 0 |
| Average Mass | 373.478 |
| Monoisotopic Mass | 373.14601 |
| SMILES | CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccn1)C2 |
| InChI | InChI=1S/C19H23N3O3S/c1-26(24,25)22-17(12-23)18(15-7-3-2-4-8-15)19(22)13-21(14-19)11-16-9-5-6-10-20-16/h2-10,17-18,23H,11-14H2,1H3/t17-,18-/m1/s1 |
| InChIKey | CMLAFUFOGSEMCZ-QZTJIDSGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S,3R)-1-methylsulfonyl-3-phenyl-6-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:129092) is a azetidines (CHEBI:38777) |
| [(2S,3R)-1-methylsulfonyl-3-phenyl-6-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:129092) is a benzenes (CHEBI:22712) |
| [(2S,3R)-1-methylsulfonyl-3-phenyl-6-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:129092) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40643 | LINCS |