EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H25NO3S |
| Net Charge | 0 |
| Average Mass | 299.436 |
| Monoisotopic Mass | 299.15551 |
| SMILES | CC(=O)N[C@@H](CSCC=C(C)CCC=C(C)C)C(=O)O |
| InChI | InChI=1S/C15H25NO3S/c1-11(2)6-5-7-12(3)8-9-20-10-14(15(18)19)16-13(4)17/h6,8,14H,5,7,9-10H2,1-4H3,(H,16,17)(H,18,19)/t14-/m0/s1 |
| InChIKey | YWGFJCHHZZUWCO-AWEZNQCLSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R)-2-acetamido-3-(3,7-dimethylocta-2,6-dienylthio)propanoic acid (CHEBI:114206) is a N-acyl-L-amino acid (CHEBI:21644) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25667 | LINCS |