EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H23N3O6S |
| Net Charge | 0 |
| Average Mass | 349.409 |
| Monoisotopic Mass | 349.13076 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C13H23N3O6S/c1-7(15-12(20)8(14)5-6-23-2)11(19)16-9(13(21)22)3-4-10(17)18/h7-9H,3-6,14H2,1-2H3,(H,15,20)(H,16,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 |
| InChIKey | ONGCSGVHCSAATF-CIUDSAMLSA-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) |
| Met-Ala-Glu (CHEBI:160462) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]propanoyl]amino]pentanedioic acid |