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CHEBI:16717 - (Z)-but-2-ene-1,2,3-tricarboxylic acid
| Formula | C7H8O6 |
| Net Charge | 0 |
| Average Mass | 188.135 |
| Monoisotopic Mass | 188.03209 |
| SMILES | C/C(C(=O)O)=C(\CC(=O)O)C(=O)O |
| InChI | InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3- |
| InChIKey | NUZLRKBHOBPTQV-ARJAWSKDSA-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) |
| (Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717) has role Escherichia coli metabolite (CHEBI:76971) |
| (Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717) is a tricarboxylic acid (CHEBI:27093) |
| (Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717) is conjugate acid of (Z)-but-2-ene-1,2,3-tricarboxylate (CHEBI:57872) |
| Incoming Relation(s) |
| (Z)-but-2-ene-1,2,3-tricarboxylate (CHEBI:57872) is conjugate base of (Z)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:16717) |
| IUPAC Name |
|---|
| (2Z)-but-2-ene-1,2,3-tricarboxylic acid |
| Synonyms | Source |
|---|---|
| (Z)-But-2-ene-1,2,3-tricarboxylate | KEGG COMPOUND |
| cis-2-Methylaconitate | KEGG COMPOUND |
| (Z)-but-2-ene-1,2,3-tricarboxylate | ChEBI |
| alpha-Methylaconitate | ChemIDplus |
| alpha-Methyl-cis-aconitate | ChemIDplus |
| cis-2-Butene-1,2,3-tricarboxylic acid | ChemIDplus |