EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H23N3O4 |
| Net Charge | 0 |
| Average Mass | 285.344 |
| Monoisotopic Mass | 285.16886 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O |
| InChI | InChI=1S/C13H23N3O4/c1-3-8(2)11(13(19)20)16-10(17)7-15-12(18)9-5-4-6-14-9/h8-9,11,14H,3-7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-,11-/m0/s1 |
| InChIKey | FEPSEIDIPBMIOS-QXEWZRGKSA-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) |
| Pro-Gly-Ile (CHEBI:162315) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3S)-3-methyl-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 57556102 | ChemSpider |