EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H31N5O6 |
| Net Charge | 0 |
| Average Mass | 461.519 |
| Monoisotopic Mass | 461.22743 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C22H31N5O6/c23-10-4-3-6-15(24)20(30)26-17(8-9-19(28)29)21(31)27-18(22(32)33)11-13-12-25-16-7-2-1-5-14(13)16/h1-2,5,7,12,15,17-18,25H,3-4,6,8-11,23-24H2,(H,26,30)(H,27,31)(H,28,29)(H,32,33)/t15-,17-,18-/m0/s1 |
| InChIKey | GHOIOYHDDKXIDX-SZMVWBNQSA-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) |
| Lys-Glu-Trp (CHEBI:159934) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 7980098 | ChemSpider |