EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H23N3O4S |
| Net Charge | 0 |
| Average Mass | 365.455 |
| Monoisotopic Mass | 365.14093 |
| SMILES | COc1ccc2c3c(nc2c1)[C@@H](CO)N(C)CC31CN(S(C)(=O)=O)C1 |
| InChI | InChI=1S/C17H23N3O4S/c1-19-8-17(9-20(10-17)25(3,22)23)15-12-5-4-11(24-2)6-13(12)18-16(15)14(19)7-21/h4-6,14,18,21H,7-10H2,1-3H3/t14-/m1/s1 |
| InChIKey | HEXPLJNODHPXAU-CQSZACIVSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1S)-7-methoxy-2-methyl-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:128959) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40511 | LINCS |