EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H25N3O7S |
| Net Charge | 0 |
| Average Mass | 379.435 |
| Monoisotopic Mass | 379.14132 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
| InChI | InChI=1S/C14H25N3O7S/c1-7(18)11(14(23)24)17-13(22)9(5-6-25-2)16-12(21)8(15)3-4-10(19)20/h7-9,11,18H,3-6,15H2,1-2H3,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1 |
| InChIKey | YHOJJFFTSMWVGR-HJGDQZAQSA-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-Thr (CHEBI:163128) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |