EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H22N4O6S |
| Net Charge | 0 |
| Average Mass | 398.441 |
| Monoisotopic Mass | 398.12601 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C16H22N4O6S/c17-10(5-8-1-3-9(21)4-2-8)14(23)20-12(7-27)15(24)19-11(16(25)26)6-13(18)22/h1-4,10-12,21,27H,5-7,17H2,(H2,18,22)(H,19,24)(H,20,23)(H,25,26)/t10-,11-,12-/m0/s1 |
| InChIKey | XBWKCYFGRXKWGO-SRVKXCTJSA-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) |
| Tyr-Cys-Asn (CHEBI:165014) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-4-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulanylpropanoyl]amino]-4-oxobutanoic acid |