EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H19N3O6 |
| Net Charge | 0 |
| Average Mass | 301.299 |
| Monoisotopic Mass | 301.12739 |
| SMILES | N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O |
| InChI | InChI=1S/C12H19N3O6/c13-7(3-4-9(16)17)12(21)15-5-1-2-8(15)11(20)14-6-10(18)19/h7-8H,1-6,13H2,(H,14,20)(H,16,17)(H,18,19)/t7-,8-/m0/s1 |
| InChIKey | CQAHWYDHKUWYIX-YUMQZZPRSA-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) |
| Glu-Pro-Gly (CHEBI:163185) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8055092 | ChemSpider |