EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22N4O6 |
| Net Charge | 0 |
| Average Mass | 318.330 |
| Monoisotopic Mass | 318.15393 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)O |
| InChI | InChI=1S/C12H22N4O6/c13-4-2-1-3-7(12(21)22)16-11(20)8(5-10(18)19)15-9(17)6-14/h7-8H,1-6,13-14H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t7-,8-/m0/s1 |
| InChIKey | MHHUEAIBJZWDBH-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) |
| Gly-Asp-Lys (CHEBI:163545) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]hexanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16571191 | ChemSpider |