CHEBI:57883 - 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1−)
ChEBI ID CHEBI:57883
ChEBI ASCII Name 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1-)
Definition A monocarboxylic acid anion that is the conjugate base of 4-carboxymethyl-3-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
Download Molfile XML SDF
Formula C7H7O4
Net Charge -1
Average Mass 155.12810
Monoisotopic Mass 155.03498
InChI InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)/p-1
InChIKey GXEVIPDDAUJTCF-UHFFFAOYSA-M
SMILES CC1=CC(=O)OC1CC([O-])=O
ChEBI Ontology
Outgoing 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1−) (CHEBI:57883) is a monocarboxylic acid anion (CHEBI:35757)
4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1−) (CHEBI:57883) is conjugate base of 4-carboxymethyl-3-methylbut-2-en-1,4-olide (CHEBI:16754)
Incoming 4-carboxymethyl-3-methylbut-2-en-1,4-olide (CHEBI:16754) is conjugate acid of 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1−) (CHEBI:57883)
IUPAC Name
(3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate
Synonyms Sources
2-(3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate ChEBI
4-carboxylatomethyl-3-methylbut-2-en-1,4-olide ChEBI
4-carboxylatomethyl-3-methylbut-2-en-1,4-olide anion ChEBI
4-carboxymethyl-3-methylbut-2-en-1,4-olide UniProt
Last Modified
13 November 2017