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CHEBI:16993 - 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid

ChEBI IDCHEBI:16993
ChEBI Name2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid
Stars
DefinitionA 5-oxo-2-furylacetic acid having a carboxy group at the 2-position.
Secondary ChEBI IDsCHEBI:1033, CHEBI:11534, CHEBI:19491, CHEBI:19493
Last Modified10 January 2019
DownloadsMolfile
FormulaC7H6O6
Net Charge0
Average Mass186.119
Monoisotopic Mass186.01644
SMILESO=C(O)CC1(C(=O)O)C=CC(=O)O1
InChIInChI=1S/C7H6O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-2H,3H2,(H,8,9)(H,11,12)
InChIKeyDHCUIDTZCMREHG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid (CHEBI:16993) is a 5-oxo-2-furylacetic acid (CHEBI:23730)
2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid (CHEBI:16993) is a furoic acid (CHEBI:36055)
2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid (CHEBI:16993) is conjugate acid of 2-(carboxylatomethyl)-5-oxo-2,5-dihydro-2-furoate(2−) (CHEBI:57979)
Incoming Relation(s)
(R)-2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid (CHEBI:49030) is a 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid (CHEBI:16993)
2-(carboxylatomethyl)-5-oxo-2,5-dihydro-2-furoate(2−) (CHEBI:57979) is conjugate base of 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid (CHEBI:16993)
IUPAC Name 
2-(carboxymethyl)-5-oxo-2,5-dihydrofuran-2-carboxylic acid
Synonyms  Source
2-Carboxy-2,5-dihydro-5-oxofuran-2-acetateKEGG COMPOUND
5-Carboxy-2,5-dihydro-2-oxofuran-5-acetateKEGG COMPOUND
4-CarboxymuconolactoneKEGG COMPOUND
gamma-CarboxymuconolactoneKEGG COMPOUND
4-carboxymuconolactoneChEBI
5-carboxy-2,5-dihydro-2-oxofuran-5-acetateChEBI
Manual XrefsDatabases
C01278KEGG COMPOUND
Registry NumbersSources
Beilstein:1373472Beilstein
CAS:13249-46-2ChemIDplus