EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H14N4O5S |
| Net Charge | 0 |
| Average Mass | 350.356 |
| Monoisotopic Mass | 350.06849 |
| SMILES | O=C(O)CNC(=O)CC1SC(NNC=C2C=CC=CC2=O)=NC1=O |
| InChI | InChI=1S/C14H14N4O5S/c19-9-4-2-1-3-8(9)6-16-18-14-17-13(23)10(24-14)5-11(20)15-7-12(21)22/h1-4,6,10,16H,5,7H2,(H,15,20)(H,21,22)(H,17,18,23) |
| InChIKey | ZRSDOAWDJBRMJL-UHFFFAOYSA-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) |
| 2-[[1-oxo-2-[4-oxo-2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-5-thiazolyl]ethyl]amino]acetic acid (CHEBI:120692) is a N-acyl-amino acid (CHEBI:51569) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32134 | LINCS |