EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:185436 - 3-(3-methylfuran-2,5-diyl)-dipropionic acid
| Formula | C11H14O5 |
| Net Charge | 0 |
| Average Mass | 226.228 |
| Monoisotopic Mass | 226.08412 |
| SMILES | Cc1cc(CCC(=O)O)oc1CCC(=O)O |
| InChI | InChI=1S/C11H14O5/c1-7-6-8(2-4-10(12)13)16-9(7)3-5-11(14)15/h6H,2-5H2,1H3,(H,12,13)(H,14,15) |
| InChIKey | LVVGOPQBDMGEIB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| 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-(3-methylfuran-2,5-diyl)-dipropionic acid (CHEBI:185436) is a heterocyclic fatty acid (CHEBI:48847) |
| IUPAC Name |
|---|
| 3-[5-(2-carboxyethyl)-4-methyluran-2-yl]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| LMFA01150046 | LIPID MAPS |
| 113368389 | ChemSpider |