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CHEBI:16600 - mesaconic acid
| Formula | C5H6O4 |
| Net Charge | 0 |
| Average Mass | 130.099 |
| Monoisotopic Mass | 130.02661 |
| SMILES | C/C(=C\C(=O)O)C(=O)O |
| InChI | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
| InChIKey | HNEGQIOMVPPMNR-NSCUHMNNSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (6778884) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mesaconic acid (CHEBI:16600) has functional parent fumaric acid (CHEBI:18012) |
| mesaconic acid (CHEBI:16600) has role human metabolite (CHEBI:77746) |
| mesaconic acid (CHEBI:16600) has role plant metabolite (CHEBI:76924) |
| mesaconic acid (CHEBI:16600) is a dicarboxylic acid (CHEBI:35692) |
| mesaconic acid (CHEBI:16600) is a dicarboxylic fatty acid (CHEBI:189840) |
| mesaconic acid (CHEBI:16600) is conjugate acid of mesaconate(2−) (CHEBI:36986) |
| Incoming Relation(s) |
| 3-methylfumaryl-CoA (CHEBI:75856) has functional parent mesaconic acid (CHEBI:16600) |
| mesaconyl-CoA (CHEBI:27969) has functional parent mesaconic acid (CHEBI:16600) |
| mesaconate(2−) (CHEBI:36986) is conjugate base of mesaconic acid (CHEBI:16600) |
| IUPAC Name |
|---|
| (2E)-2-methylbut-2-enedioic acid |
| Synonyms | Source |
|---|---|
| Mesaconic acid | KEGG COMPOUND |
| Methylfumaric acid | KEGG COMPOUND |
| 2-methylfumaric acid | ChEBI |
| (E)-2-Methyl-2-butenedioic acid | KEGG COMPOUND |
| trans-1-Propene-1,2-dicarboxylic acid | ChemIDplus |
| Citronic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C01732 | KEGG COMPOUND |
| MEZ | PDBeChem |
| HMDB0000749 | HMDB |
| Mesaconic_acid | Wikipedia |
| Citations |
|---|