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

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ChEBI Name (5-oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid
ChEBI ID CHEBI:28947
Definition An organosulfonic acid that consists of 5-oxo-2-furylacetic acid bearing a sulfo group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1939
Supplier Information
Download Molfile XML SDF
Formula C6H6O7S
Net Charge 0
Average Mass 222.17300
Monoisotopic Mass 221.98342
InChI InChI=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)
InChIKey WEEOYKXHMIPYQX-UHFFFAOYSA-N
SMILES OC(=O)CC1(OC(=O)C=C1)S(O)(=O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
4-Carboxymethyl-4-sulfobut-2-en-4-olide KEGG COMPOUND
4-Sulfolactone KEGG COMPOUND
Manual Xref Database
C06676 KEGG COMPOUND
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Last Modified
27 January 2016