EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H19N3O3S |
| Net Charge | 0 |
| Average Mass | 249.336 |
| Monoisotopic Mass | 249.11471 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)O |
| InChI | InChI=1S/C9H19N3O3S/c10-4-2-1-3-7(9(14)15)12-8(13)6(11)5-16/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)/t6-,7-/m0/s1 |
| InChIKey | WXOFKRKAHJQKLT-BQBZGAKWSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cys-Lys (CHEBI:157810) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| (2S)-6-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]hexanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 14480292 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:71190-90-4 | ChemIDplus |