EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20N4O8 |
| Net Charge | 0 |
| Average Mass | 348.312 |
| Monoisotopic Mass | 348.12811 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C12H20N4O8/c13-5(1-2-9(19)20)10(21)16-7(4-17)11(22)15-6(12(23)24)3-8(14)18/h5-7,17H,1-4,13H2,(H2,14,18)(H,15,22)(H,16,21)(H,19,20)(H,23,24)/t5-,6-,7-/m0/s1 |
| InChIKey | ALMBZBOCGSVSAI-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) |
| Glu-Ser-Asn (CHEBI:163215) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |