EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:193957 - Monoethyl malonic acid
| Formula | C5H8O4 |
| Net Charge | 0 |
| Average Mass | 132.115 |
| Monoisotopic Mass | 132.04226 |
| SMILES | CCOC(=O)CC(=O)O |
| InChI | InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChIKey | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| synthetic microbial community (ncbitaxon:3229850) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3129) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Monoethyl malonic acid (CHEBI:193957) is a dicarboxylic acid (CHEBI:35692) |
| IUPAC Name |
|---|
| 3-ethoxy-3-oxopropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 63783 | ChemSpider |
| HMDB0000576 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:1071-46-1 | ChemIDplus |