EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:57888
ChEBI Name4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1−)
Stars
ASCII Name4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1-)
DefinitionThe conjugate base of 4-carboxymethyl-4-methylbut-2-en-1,4-olide; major species at pH 7.3.
Last Modified20 June 2024
DownloadsMolfile
FormulaC7H7O4
Net Charge-1
Average Mass155.129
Monoisotopic Mass155.03498
SMILESCC1(CC(=O)[O-])C=CC(=O)O1
InChIInChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/p-1
InChIKeyFIKLRROSHXQNFN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4-carboxylatomethyl-4-methylbut-2-en-1,4-olideChEBI
2-(2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetateChEBI
4-carboxylatomethyl-4-methylbut-2-en-1,4-olide anionChEBI
UniProt Name  Source
4-methylmuconolactoneUniProt