EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H18O5 |
| Net Charge | 0 |
| Average Mass | 242.271 |
| Monoisotopic Mass | 242.11542 |
| SMILES | CC(=O)CCC(=O)CCC(=O)CCCC(=O)O |
| InChI | InChI=1S/C12H18O5/c1-9(13)5-6-11(15)8-7-10(14)3-2-4-12(16)17/h2-8H2,1H3,(H,16,17) |
| InChIKey | WFONHNWPZAWQJD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phyllostachys violascens (ncbitaxon:1903417) | stem (BTO:0001300) | MetaboLights (MTBLS3970) | Strain: Phyllostachys violascens cv. Viridisulcata |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,8,11-Trioxododecanoic acid (CHEBI:188565) is a oxo carboxylic acid (CHEBI:25754) |
| IUPAC Name |
|---|
| 5,8,11-trioxododecanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 28542216 | ChemSpider |