EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H23N3O6S2 |
| Net Charge | 0 |
| Average Mass | 381.476 |
| Monoisotopic Mass | 381.10283 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O |
| InChI | InChI=1S/C13H23N3O6S2/c1-24-5-4-8(12(20)16-9(6-23)13(21)22)15-11(19)7(14)2-3-10(17)18/h7-9,23H,2-6,14H2,1H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 |
| InChIKey | LGWUJBCIFGVBSJ-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) |
| Glu-Met-Cys (CHEBI:163104) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(2S)-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |