EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H34N4O8S |
| Net Charge | 0 |
| Average Mass | 514.601 |
| Monoisotopic Mass | 514.20974 |
| SMILES | CSCCC(N)C(=O)NC(C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)O)C(C)O |
| InChI | InChI=1S/C22H34N4O8S/c1-11(27)17(20(31)24-16(22(33)34)10-13-4-6-14(29)7-5-13)26-21(32)18(12(2)28)25-19(30)15(23)8-9-35-3/h4-7,11-12,15-18,27-29H,8-10,23H2,1-3H3,(H,24,31)(H,25,30)(H,26,32)(H,33,34) |
| InChIKey | ZSHJENHLFBWELN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trypanosoma brucei (ncbitaxon:5691) | cell culture (BTO:0000214) | MetaboLights (MTBLS2559) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Met-Thr-Thr-Tyr (CHEBI:183196) is a tetrapeptide (CHEBI:48030) |
| IUPAC Name |
|---|
| 2-[[2-[[2-[(2-amino-4-methylsulanylbutanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16678511 | ChemSpider |