EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H26N4O6 |
| Net Charge | 0 |
| Average Mass | 334.373 |
| Monoisotopic Mass | 334.18523 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)O |
| InChI | InChI=1S/C13H26N4O6/c1-7(19)10(12(21)16-9(6-18)13(22)23)17-11(20)8(15)4-2-3-5-14/h7-10,18-19H,2-6,14-15H2,1H3,(H,16,21)(H,17,20)(H,22,23)/t7-,8+,9+,10+/m1/s1 |
| InChIKey | RMOKGALPSPOYKE-KATARQTJSA-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) |
| Lys-Thr-Ser (CHEBI:160324) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid |