CHEBI:57888 - 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1−)
ChEBI ID CHEBI:57888
ChEBI ASCII Name 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1-)
Definition The conjugate base of 4-carboxymethyl-4-methylbut-2-en-1,4-olide; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C7H7O4
Net Charge -1
Average Mass 155.12810
Monoisotopic Mass 155.03498
InChI InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/p-1
InChIKey FIKLRROSHXQNFN-UHFFFAOYSA-M
SMILES CC1(CC([O-])=O)OC(=O)C=C1
ChEBI Ontology
Outgoing 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1−) (CHEBI:57888) is a monocarboxylic acid anion (CHEBI:35757)
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)
Incoming 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)
IUPAC Name
(2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate
Synonyms Sources
2-(2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate ChEBI
4-carboxylatomethyl-4-methylbut-2-en-1,4-olide ChEBI
4-carboxylatomethyl-4-methylbut-2-en-1,4-olide anion ChEBI
4-methylmuconolactone UniProt
Last Modified
20 June 2024