EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H22D3NO4 |
| Net Charge | 0 |
| Average Mass | 262.364 |
| Monoisotopic Mass | 262.19719 |
| SMILES | [2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCC |
| InChI | InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1/i2D3 |
| InChIKey | VVPRQWTYSNDTEA-BINOJTDESA-N |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexanoyl-L-carnitine-d3 (CHEBI:192246) is a O-hexanoyl-L-carnitine (CHEBI:84834) |