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CHEBI:27036 - trans,trans-muconic acid
| Formula | C6H6O4 |
| Net Charge | 0 |
| Average Mass | 142.110 |
| Monoisotopic Mass | 142.02661 |
| SMILES | O=C(O)/C=C/C=C/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)/b3-1+,4-2+ |
| InChIKey | TXXHDPDFNKHHGW-ZPUQHVIOSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Application: | biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans,trans-muconic acid (CHEBI:27036) has role biomarker (CHEBI:59163) |
| trans,trans-muconic acid (CHEBI:27036) has role human xenobiotic metabolite (CHEBI:76967) |
| trans,trans-muconic acid (CHEBI:27036) is a muconic acid (CHEBI:38407) |
| trans,trans-muconic acid (CHEBI:27036) is conjugate acid of (2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502) |
| Incoming Relation(s) |
| 2,4-dichloro-trans,trans-muconic acid (CHEBI:38410) has functional parent trans,trans-muconic acid (CHEBI:27036) |
| 2,5-dichloro-trans,trans-muconic acid (CHEBI:38423) has functional parent trans,trans-muconic acid (CHEBI:27036) |
| 3-chloro-trans,trans-muconic acid (CHEBI:38433) has functional parent trans,trans-muconic acid (CHEBI:27036) |
| (2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502) is conjugate base of trans,trans-muconic acid (CHEBI:27036) |
| IUPAC Name |
|---|
| (2E,4E)-hexa-2,4-dienedioic acid |
| Synonyms | Source |
|---|---|
| trans,trans-2,4-hexadienedioic acid | ChEBI |
| (E,E)-muconic acid | ChemIDplus |
| trans,trans-buta-1,3-diene-1,4-dicarboxylic acid | ChemIDplus |
| trans,trans-muconic acid | NIST Chemistry WebBook |
| trans,trans-1,3-butadiene-1,4-dicarboxylic acid | NIST Chemistry WebBook |
| (E,E)-2,4-hexadienedioic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| Muconic_acid | Wikipedia |
| HMDB0002349 | HMDB |