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CHEBI:61985 - 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2−)

ChEBI IDCHEBI:61985
ChEBI Name4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2−)
Stars
ASCII Name4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2-)
DefinitionA dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal; major species at pH 7.3.
Last Modified3 May 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H4O6
Net Charge-2
Average Mass184.103
Monoisotopic Mass184.00189
SMILESO=C([O-])C1=CC(O)OC(C(=O)[O-])=C1
InChIInChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)/p-2
InChIKeyMLOJGZHQNWCBAC-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2−) (CHEBI:61985) is a dicarboxylic acid dianion (CHEBI:28965)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2−) (CHEBI:61985) is conjugate base of 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal (CHEBI:62011)
Incoming Relation(s)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal (CHEBI:62011) is conjugate acid of 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2−) (CHEBI:61985)
IUPAC Name 
2-hydroxy-2H-pyran-4,6-dicarboxylate
UniProt Name  Source
4-carboxy-2-hydroxymuconate semialdehyde hemiacetalUniProt
Citations