EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H19N3O7 |
| Net Charge | 0 |
| Average Mass | 305.287 |
| Monoisotopic Mass | 305.12230 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C11H19N3O7/c1-5(12)9(18)14-7(4-15)10(19)13-6(11(20)21)2-3-8(16)17/h5-7,15H,2-4,12H2,1H3,(H,13,19)(H,14,18)(H,16,17)(H,20,21)/t5-,6-,7-/m0/s1 |
| InChIKey | MSWSRLGNLKHDEI-ACZMJKKPSA-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) |
| Ala-Ser-Glu (CHEBI:158493) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid |