EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H24N4O6 |
| Net Charge | 0 |
| Average Mass | 404.423 |
| Monoisotopic Mass | 404.16958 |
| SMILES | C[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C19H24N4O6/c1-10(17(26)23-15(19(28)29)6-7-16(24)25)22-18(27)13(20)8-11-9-21-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,21H,6-8,20H2,1H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/t10-,13-,15-/m0/s1 |
| InChIKey | MQVGIFJSFFVGFW-XEGUGMAKSA-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) |
| Trp-Ala-Glu (CHEBI:164408) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]pentanedioic acid |