EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H19N3O4S |
| Net Charge | 0 |
| Average Mass | 361.423 |
| Monoisotopic Mass | 361.10963 |
| SMILES | COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2Cc1nccs1 |
| InChI | InChI=1S/C17H19N3O4S/c1-24-17(23)15-10(9-21)12-7-19-11(3-2-4-14(19)22)16(15)20(12)8-13-18-5-6-25-13/h2-6,10,12,15-16,21H,7-9H2,1H3/t10-,12-,15+,16+/m0/s1 |
| InChIKey | AQWQARACBBXMKO-GDJRKYJOSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-10579 (CHEBI:99200) is a carboxylic acid (CHEBI:33575) |
| LSM-10579 (CHEBI:99200) is a pyrrolidinecarboxylic acid (CHEBI:46767) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10579 | LINCS |