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CHEBI:62011 - 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal

ChEBI IDCHEBI:62011
ChEBI Name4-carboxy-2-hydroxymuconate semialdehyde hemiacetal
Stars
DefinitionA dicarboxylic acid comprising 2-hydroxy-2H-pyran having two carboxy groups located at the 4- and 6-positions.
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC7H6O6
Net Charge0
Average Mass186.119
Monoisotopic Mass186.01644
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)
InChIKeyMLOJGZHQNWCBAC-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)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal (CHEBI:62011) is a dicarboxylic acid (CHEBI:35692)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal (CHEBI:62011) is a lactol (CHEBI:38131)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal (CHEBI:62011) is a pyrans (CHEBI:26407)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal (CHEBI:62011) is conjugate acid of 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2−) (CHEBI:61985)
Incoming Relation(s)
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2−) (CHEBI:61985) is conjugate base of 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal (CHEBI:62011)
Synonyms  Source
2-hydroxy-2-hydropyrone-4,6-dicarboxylic acidChEBI
2-hydroxy-2H-pyran-4,6-dicarboxylic acidChEBI
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