EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H17NO4 |
| Net Charge | 0 |
| Average Mass | 203.238 |
| Monoisotopic Mass | 203.11576 |
| SMILES | COC(=O)NC(C)(C)C(C)(C)C(=O)O |
| InChI | InChI=1S/C9H17NO4/c1-8(2,6(11)12)9(3,4)10-7(13)14-5/h1-5H3,(H,10,13)(H,11,12) |
| InChIKey | QTEBFSANEDARCQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bombus terrestris (ncbitaxon:30195) | |||
| hindgut (BTO:0000510) | MetaboLights (MTBLS3637) | ||
| brain (BTO:0000142) | MetaboLights (MTBLS3637) | ||
| hemolymph (BTO:0000572) | MetaboLights (MTBLS3637) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid (CHEBI:183336) is a methyl-branched fatty acid (CHEBI:62499) |
| IUPAC Name |
|---|
| 3-(methoxycarbonylamino)-2,2,3-trimethylbutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 2081613 | ChemSpider |