CHEBI:28251 - 3-carboxymethylmuconic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H8O6 Net Charge 0 Average Mass 200.14550 Monoisotopic Mass 200.03209 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 View more database links Last Modified 04 August 2014