CHEBI:28251 - 3-carboxymethylmuconic acid

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ChEBI Name 3-carboxymethylmuconic acid
ChEBI ID CHEBI:28251
Definition Muconic acid (stereochemistry of C=C bonds unspecified) substituted at the 3-position by a carboxymethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1469, CHEBI:19977
Supplier Information
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Formula C8H8O6
Net Charge 0
Average Mass 200.14550
Monoisotopic Mass 200.032
InChI InChI=1S/C8H8O6/c9-6(10)2-1-5(3-7(11)12)4-8(13)14/h1-3H,4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey YISIGATXJQLDCC-UHFFFAOYSA-N
SMILES [H]C(=CC(CC(O)=O)=C([H])C(O)=O)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-carboxymethylmuconic acid (CHEBI:28251) has functional parent muconic acid (CHEBI:38407)
3-carboxymethylmuconic acid (CHEBI:28251) is a tricarboxylic acid (CHEBI:27093)
IUPAC Name
3-(carboxymethyl)hexa-2,4-dienedioic acid
Synonym Source
3-Carboxymethylmuconate KEGG COMPOUND
Manual Xref Database
C05592 KEGG COMPOUND
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Last Modified
04 August 2014