EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H17N3O3S |
| Net Charge | 0 |
| Average Mass | 307.375 |
| Monoisotopic Mass | 307.09906 |
| SMILES | NC(CS)C(=O)NC(Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C14H17N3O3S/c15-10(7-21)13(18)17-12(14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20) |
| InChIKey | SYELGNBERZZXAG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| marine plankton environmental sample (ncbitaxon:632957) | endometabolome | MetaboLights (MTBLS3038) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cysteinyl-Tryptophan (CHEBI:189960) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| 2-[(2-amino-3-sulanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 15307009 | ChemSpider |
| HMDB0028786 | HMDB |