EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H24N4O6 |
| Net Charge | 0 |
| Average Mass | 392.412 |
| Monoisotopic Mass | 392.16958 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@@H](CO)C(=O)O |
| InChI | InChI=1S/C18H24N4O6/c1-9(24)15(17(26)21-14(8-23)18(27)28)22-16(25)12(19)6-10-7-20-13-5-3-2-4-11(10)13/h2-5,7,9,12,14-15,20,23-24H,6,8,19H2,1H3,(H,21,26)(H,22,25)(H,27,28)/t9-,12+,14+,15+/m1/s1 |
| InChIKey | VMXLNDRJXVAJFT-JYBASQMISA-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-Thr-Ser (CHEBI:164868) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid |