CHEBI:16766 - 4-carboxymethyl-4-methylbut-2-en-1,4-olide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-carboxymethyl-4-methylbut-2-en-1,4-olide ChEBI ID CHEBI:16766 Definition A 5-oxo-2-furylacetic acid having a 4-methyl substituent. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11971, CHEBI:1799, CHEBI:20329, CHEBI:20448 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 C7H8O4 Net Charge 0 Average Mass 156.13602 Monoisotopic Mass 156.04226 InChI InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9) InChIKey FIKLRROSHXQNFN-UHFFFAOYSA-N SMILES CC1(CC(O)=O)OC(=O)C=C1 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 4-carboxymethyl-4-methylbut-2-en-1,4-olide (CHEBI:16766) is a 5-oxo-2-furylacetic acid (CHEBI:23730) 4-carboxymethyl-4-methylbut-2-en-1,4-olide (CHEBI:16766) is conjugate acid of 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1−) (CHEBI:57888) Incoming 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1−) (CHEBI:57888) is conjugate base of 4-carboxymethyl-4-methylbut-2-en-1,4-olide (CHEBI:16766) IUPAC Name (2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid Synonyms Sources 4-Carboxymethyl-4-methylbut-2-en-1,4-olide KEGG COMPOUND 4-Carboxymethyl-4-methylbut-2-en-1,4-olide KEGG COMPOUND 4-methylmuconolactone ChEBI 4-methylmuconolactone ChEBI 4-Methylmuconolactone KEGG COMPOUND 5-carboxymethyl-5-methylfuran-2(5H)-one ChEBI Manual Xrefs Databases c0209 UM-BBD C04559 KEGG COMPOUND View more database links Last Modified 28 July 2014