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CHEBI:15663 - (2E)-3-(methoxycarbonyl)pent-2-enedioic acid
| Formula | C7H8O6 |
| Net Charge | 0 |
| Average Mass | 188.135 |
| Monoisotopic Mass | 188.03209 |
| SMILES | COC(=O)/C(=C/C(=O)O)CC(=O)O |
| InChI | InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2+ |
| InChIKey | BRYKYSQCLNCYQW-DUXPYHPUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) has functional parent (Z)-glutaconic acid (CHEBI:50429) |
| (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) has role Escherichia coli metabolite (CHEBI:76971) |
| (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is a dicarboxylic acid (CHEBI:35692) |
| (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is a fatty acid methyl ester (CHEBI:4986) |
| (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is a methyl ester (CHEBI:25248) |
| (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is conjugate acid of (2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470) |
| Incoming Relation(s) |
| (2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470) is conjugate base of (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) |
| IUPAC Name |
|---|
| (2E)-3-(methoxycarbonyl)pent-2-enedioic acid |
| Synonym | Source |
|---|---|
| (E)-3-(Methoxycarbonyl)pent-2-enedioate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11514 | KEGG COMPOUND |