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CHEBI:76248 - 4-hydroxy-2,5-dimethylfuran-3-olate

ChEBI IDCHEBI:76248
ChEBI Name4-hydroxy-2,5-dimethylfuran-3-olate
Stars
DefinitionAn organic anion that is the conjugate base of 4-hydroxy-2,5-dimethyl-3-furanone, obtained by deprotonation of the hydroxy group with concomitant keto/enol-type tautomerisation. It is thought to be a major microspecies at pH 7.3.
Last Modified25 July 2017
SubmitterKAX
DownloadsMolfile
FormulaC6H7O3
Net Charge-1
Average Mass127.119
Monoisotopic Mass127.04007
SMILESCc1oc(C)c(O)c1[O-]
InChIInChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h7-8H,1-2H3/p-1
InChIKeyIIGLVVZHSDZGOL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-2,5-dimethylfuran-3-olate (CHEBI:76248) is a organic anion (CHEBI:25696)
4-hydroxy-2,5-dimethylfuran-3-olate (CHEBI:76248) is conjugate base of 4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247)
Incoming Relation(s)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) is conjugate acid of 4-hydroxy-2,5-dimethylfuran-3-olate (CHEBI:76248)
IUPAC Name 
4-hydroxy-2,5-dimethylfuran-3-olate
UniProt Name  Source
4-hydroxy-2,5-dimethylfuran-3(2H)-olateUniProt