EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H31N3O5 |
| Net Charge | 0 |
| Average Mass | 345.440 |
| Monoisotopic Mass | 345.22637 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)O |
| InChI | InChI=1S/C16H31N3O5/c1-6-9(4)12(16(23)24)18-15(22)13(10(5)20)19-14(21)11(17)7-8(2)3/h8-13,20H,6-7,17H2,1-5H3,(H,18,22)(H,19,21)(H,23,24)/t9-,10+,11-,12-,13-/m0/s1 |
| InChIKey | LJBVRCDPWOJOEK-PPCPHDFISA-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) |
| Leu-Thr-Ile (CHEBI:159532) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 10443031 | ChemSpider |