EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H21N3O6 |
| Net Charge | 0 |
| Average Mass | 303.315 |
| Monoisotopic Mass | 303.14304 |
| SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)O |
| InChI | InChI=1S/C12H21N3O6/c1-6(2)3-8(12(20)21)15-9(16)5-14-11(19)7(13)4-10(17)18/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1 |
| InChIKey | QCVXMEHGFUMKCO-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) |
| Asp-Gly-Leu (CHEBI:160571) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]acetyl]amino]-4-methylpentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8076695 | ChemSpider |