EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H26N6O6 |
| Net Charge | 0 |
| Average Mass | 386.409 |
| Monoisotopic Mass | 386.19138 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O |
| InChI | InChI=1S/C15H26N6O6/c16-15(17)19-6-2-4-9(14(26)27)20-13(25)10(7-11(22)23)21-12(24)8-3-1-5-18-8/h8-10,18H,1-7H2,(H,20,25)(H,21,24)(H,22,23)(H,26,27)(H4,16,17,19)/t8-,9-,10-/m0/s1 |
| InChIKey | JARJPEMLQAWNBR-GUBZILKMSA-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) |
| Pro-Asp-Arg (CHEBI:162140) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-3-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16573849 | ChemSpider |