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.
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Formula C6H6O4
Net Charge 0
Average Mass 142.10944
Monoisotopic Mass 142.027
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
23 October 2015