CHEBI:27036 - trans,trans-muconic acid

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ChEBI Name trans,trans-muconic acid ChEBI ID CHEBI:27036 ChEBI ASCII Name trans,trans-muconic acid Definition The trans,trans-isomer of muconic acid. It is metabolite of benzene in humans and serves as a biomarker of occupational exposure to benzene. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C6H6O4 Net Charge 0 Average Mass 142.10944 Monoisotopic Mass 142.02661 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 SMILES OC(=O)\C=C\C=C\C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. (via muconic acid ) Application(s): biomarker A substance used as an indicator of a biological state. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources (2E,4E)-2,4-hexadienedioic acid NIST Chemistry WebBook (E,E)-2,4-hexadienedioic acid ChemIDplus (E,E)-muconic acid ChemIDplus trans,trans-1,3-butadiene-1,4-dicarboxylic acid NIST Chemistry WebBook trans,trans-2,4-hexadienedioic acid ChEBI trans,trans-buta-1,3-diene-1,4-dicarboxylic acid ChemIDplus trans,trans-muconic acid NIST Chemistry WebBook Manual Xrefs Databases HMDB0002349 HMDB Muconic_acid Wikipedia View more database links Registry Numbers Types Sources 1722699 Gmelin Registry Number Gmelin 3588-17-8 CAS Registry Number NIST Chemistry WebBook 3588-17-8 CAS Registry Number ChemIDplus 8133661 Beilstein Registry Number Beilstein 8133661 Reaxys Registry Number Reaxys Last Modified 24 February 2022