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CHEBI:28947 - (5-oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid

ChEBI IDCHEBI:28947
ChEBI Name(5-oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid
Stars
DefinitionAn organosulfonic acid that consists of 5-oxo-2-furylacetic acid bearing a sulfo group at position 2.
Secondary ChEBI IDCHEBI:1939
Last Modified27 January 2016
DownloadsMolfile
FormulaC6H6O7S
Net Charge0
Average Mass222.174
Monoisotopic Mass221.98342
SMILESO=C(O)CC1(S(=O)(=O)O)C=CC(=O)O1
InChIInChI=1S/C6H6O7S/c7-4(8)3-6(14(10,11)12)2-1-5(9)13-6/h1-2H,3H2,(H,7,8)(H,10,11,12)
InChIKeyWEEOYKXHMIPYQX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(5-oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid (CHEBI:28947) has role mouse metabolite (CHEBI:75771)
(5-oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid (CHEBI:28947) is a 5-oxo-2-furylacetic acid (CHEBI:23730)
(5-oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid (CHEBI:28947) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
(5-oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid
Synonyms  Source
4-SulfolactoneKEGG COMPOUND
4-Carboxymethyl-4-sulfobut-2-en-4-olideKEGG COMPOUND
Manual XrefsDatabases
C06676KEGG COMPOUND