EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H20N6O6 |
| Net Charge | 0 |
| Average Mass | 356.339 |
| Monoisotopic Mass | 356.14443 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1cncn1)C(=O)O |
| InChI | InChI=1S/C13H20N6O6/c14-7(4-20)11(22)18-8(2-10(15)21)12(23)19-9(13(24)25)1-6-3-16-5-17-6/h3,5,7-9,20H,1-2,4,14H2,(H2,15,21)(H,16,17)(H,18,22)(H,19,23)(H,24,25)/t7-,8-,9-/m0/s1 |
| InChIKey | WXWDPFVKQRVJBJ-CIUDSAMLSA-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) |
| Ser-Asn-His (CHEBI:162914) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid |