EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H19N3O7 |
| Net Charge | 0 |
| Average Mass | 317.298 |
| Monoisotopic Mass | 317.12230 |
| SMILES | N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O |
| InChI | InChI=1S/C12H19N3O7/c13-6(5-16)11(20)15-3-1-2-8(15)10(19)14-7(12(21)22)4-9(17)18/h6-8,16H,1-5,13H2,(H,14,19)(H,17,18)(H,21,22)/t6-,7-,8-/m0/s1 |
| InChIKey | PJIQEIFXZPCWOJ-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) |
| Ser-Pro-Asp (CHEBI:163383) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid |