EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H23N3O5 |
| Net Charge | 0 |
| Average Mass | 289.332 |
| Monoisotopic Mass | 289.16377 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
| InChI | InChI=1S/C12H23N3O5/c1-4-6(2)9(14-8(17)5-13)11(18)15-10(7(3)16)12(19)20/h6-7,9-10,16H,4-5,13H2,1-3H3,(H,14,17)(H,15,18)(H,19,20)/t6-,7+,9-,10-/m0/s1 |
| InChIKey | SCWYHUQOOFRVHP-MBLNEYKQSA-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-Ile-Thr (CHEBI:163781) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3R)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid |