EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H23N3O6 |
| Net Charge | 0 |
| Average Mass | 317.342 |
| Monoisotopic Mass | 317.15869 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C13H23N3O6/c1-3-7(2)11(13(21)22)16-9(17)6-15-12(20)8(14)4-5-10(18)19/h7-8,11H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-,11-/m0/s1 |
| InChIKey | CUXJIASLBRJOFV-LAEOZQHASA-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-Gly-Ile (CHEBI:162924) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3S)-2-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]-3-methylpentanoic acid |