EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H15N5O4S |
| Net Charge | 0 |
| Average Mass | 361.383 |
| Monoisotopic Mass | 361.08447 |
| SMILES | Cn1c(=O)n(C)c2cc(C=NNC3=NC(=O)C(CC(=O)O)S3)ccc21 |
| InChI | InChI=1S/C15H15N5O4S/c1-19-9-4-3-8(5-10(9)20(2)15(19)24)7-16-18-14-17-13(23)11(25-14)6-12(21)22/h3-5,7,11H,6H2,1-2H3,(H,21,22)(H,17,18,23) |
| InChIKey | JDKJKELRAGWSJZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-[2-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid (CHEBI:107435) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18790 | LINCS |