EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H24N4O7 |
| Net Charge | 0 |
| Average Mass | 396.400 |
| Monoisotopic Mass | 396.16450 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
| InChI | InChI=1S/C17H24N4O7/c1-8(22)14(16(26)20-12(17(27)28)7-13(19)24)21-15(25)11(18)6-9-2-4-10(23)5-3-9/h2-5,8,11-12,14,22-23H,6-7,18H2,1H3,(H2,19,24)(H,20,26)(H,21,25)(H,27,28)/t8-,11+,12+,14+/m1/s1 |
| InChIKey | BIVIUZRBCAUNPW-JRQIVUDYSA-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) |
| Tyr-Thr-Asn (CHEBI:165977) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid |