EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H24N4O6 |
| Net Charge | 0 |
| Average Mass | 332.357 |
| Monoisotopic Mass | 332.16958 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O |
| InChI | InChI=1S/C13H24N4O6/c1-6(2)10(12(21)16-8(5-18)13(22)23)17-11(20)7(14)3-4-9(15)19/h6-8,10,18H,3-5,14H2,1-2H3,(H2,15,19)(H,16,21)(H,17,20)(H,22,23)/t7-,8-,10-/m0/s1 |
| InChIKey | FITIQFSXXBKFFM-NRPADANISA-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) |
| Gln-Val-Ser (CHEBI:162642) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid |