EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:144330 - 3-methylglutaconic acid
| Formula | C6H8O4 |
| Net Charge | 0 |
| Average Mass | 144.126 |
| Monoisotopic Mass | 144.04226 |
| SMILES | [H]C(C(=O)O)=C(C)CC(=O)O |
| InChI | InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10) |
| InChIKey | WKRBKYFIJPGYQC-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | umbilical vein endothelial cell line (BTO:0001520) | MetaboLights (MTBLS739) |
| 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-methylglutaconic acid (CHEBI:144330) is a methyl-branched fatty acid (CHEBI:62499) |
| IUPAC Name |
|---|
| 3-methylpent-2-enedioic acid |
| Synonym | Source |
|---|---|
| 3-methyl-2-pentenedioic acid | ChemIDplus |
| Citations |
|---|