EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H11N7O3S2 |
| Net Charge | 0 |
| Average Mass | 389.422 |
| Monoisotopic Mass | 389.03648 |
| SMILES | COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2s1 |
| InChI | InChI=1S/C14H11N7O3S2/c1-23-13(22)10-8(21(20-17-10)12-11(15)18-24-19-12)6-25-14-16-7-4-2-3-5-9(7)26-14/h2-5H,6H2,1H3,(H2,15,18) |
| InChIKey | ZKGKCBNHBDJDRP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-4-triazolecarboxylic acid methyl ester (CHEBI:121594) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33037 | LINCS |