EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H25N3O4S |
| Net Charge | 0 |
| Average Mass | 319.427 |
| Monoisotopic Mass | 319.15658 |
| SMILES | CSCC[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChI | InChI=1S/C13H25N3O4S/c1-8(2)6-10(13(19)20)16-12(18)9(4-5-21-3)15-11(17)7-14/h8-10H,4-7,14H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t9-,10-/m0/s1 |
| InChIKey | YHYDTTUSJXGTQK-UWVGGRQHSA-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) |
| Gly-Met-Leu (CHEBI:163889) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulanylbutanoyl]amino]-4-methylpentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 25054960 | ChemSpider |