EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H24N6O7 |
| Net Charge | 0 |
| Average Mass | 376.370 |
| Monoisotopic Mass | 376.17065 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O |
| InChI | InChI=1S/C13H24N6O7/c14-6(4-9(21)22)10(23)18-7(2-1-3-17-13(15)16)11(24)19-8(5-20)12(25)26/h6-8,20H,1-5,14H2,(H,18,23)(H,19,24)(H,21,22)(H,25,26)(H4,15,16,17)/t6-,7-,8-/m0/s1 |
| InChIKey | FAEIQWHBRBWUBN-FXQIFTODSA-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) |
| Asp-Arg-Ser (CHEBI:160347) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid |