EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22N4O5S |
| Net Charge | 0 |
| Average Mass | 334.398 |
| Monoisotopic Mass | 334.13109 |
| SMILES | CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)O |
| InChI | InChI=1S/C12H22N4O5S/c1-6(13)10(18)15-7(3-4-22-2)11(19)16-8(12(20)21)5-9(14)17/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t6-,7-,8-/m0/s1 |
| InChIKey | RAAWHFXHAACDFT-FXQIFTODSA-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) |
| Ala-Met-Asn (CHEBI:158367) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulanylbutanoyl]amino]-4-oxobutanoic acid |