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CHEBI:38407 - muconic acid
| Formula | C6H6O4 |
| Net Charge | 0 |
| Average Mass | 142.110 |
| Monoisotopic Mass | 142.02661 |
| SMILES | [H]C(=CC=C([H])C(=O)O)C(=O)O |
| InChI | InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10) |
| InChIKey | TXXHDPDFNKHHGW-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| muconic acid (CHEBI:38407) has role human xenobiotic metabolite (CHEBI:76967) |
| muconic acid (CHEBI:38407) is a dicarboxylic fatty acid (CHEBI:189840) |
| muconic acid (CHEBI:38407) is a hexadienedioic acid (CHEBI:24553) |
| muconic acid (CHEBI:38407) is conjugate acid of 5-carboxypenta-2,4-dienoate (CHEBI:36504) |
| Incoming Relation(s) |
| (2E,4Z)-2-hydroxymuconic acid (CHEBI:64037) has functional parent muconic acid (CHEBI:38407) |
| (2Z,4E)-2-hydroxymuconic acid (CHEBI:53146) has functional parent muconic acid (CHEBI:38407) |
| 2-aminomuconic acid (CHEBI:16886) has functional parent muconic acid (CHEBI:38407) |
| 3-carboxymethylmuconic acid (CHEBI:28251) has functional parent muconic acid (CHEBI:38407) |
| 3-sulfomuconic acid (CHEBI:27942) has functional parent muconic acid (CHEBI:38407) |
| 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one (CHEBI:17881) has functional parent muconic acid (CHEBI:38407) |
| chloromuconic acid (CHEBI:38408) has functional parent muconic acid (CHEBI:38407) |
| cis,cis-muconic acid (CHEBI:16508) is a muconic acid (CHEBI:38407) |
| cis,trans-muconic acid (CHEBI:27671) is a muconic acid (CHEBI:38407) |
| trans,trans-muconic acid (CHEBI:27036) is a muconic acid (CHEBI:38407) |
| 5-carboxypenta-2,4-dienoate (CHEBI:36504) is conjugate base of muconic acid (CHEBI:38407) |
| IUPAC Name |
|---|
| hexa-2,4-dienedioic acid |
| Synonyms | Source |
|---|---|
| 1,3-butadiene-1,4-dicarboxylic acid | ChemIDplus |
| 2,4-hexadienedioic acid | ChEBI |
| butadiene-1,4-dicarboxylic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1722248 | Beilstein |
| Beilstein:1756239 | Beilstein |
| CAS:505-70-4 | ChemIDplus |
| Citations |
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