EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H21N3O7 |
| Net Charge | 0 |
| Average Mass | 331.325 |
| Monoisotopic Mass | 331.13795 |
| SMILES | N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)O |
| InChI | InChI=1S/C13H21N3O7/c14-7(3-4-10(18)19)11(20)15-8(6-17)12(21)16-5-1-2-9(16)13(22)23/h7-9,17H,1-6,14H2,(H,15,20)(H,18,19)(H,22,23)/t7-,8-,9+/m0/s1 |
| InChIKey | HMJULNMJWOZNFI-XHNCKOQMSA-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-Ser-Pro (CHEBI:163239) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2R)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid |