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CHEBI:28249 - 2-hydroxy-5-methyl-cis,cis-muconic acid

ChEBI IDCHEBI:28249
ChEBI Name2-hydroxy-5-methyl-cis,cis-muconic acid
Stars
ASCII Name2-hydroxy-5-methyl-cis,cis-muconic acid
DefinitionA dicarboxylic acid that is cis,cis-muconic acid in which the hydrogens at positions 2 and 5 are substituted by hydroxy and methyl groups, respectively.
Secondary ChEBI IDsCHEBI:1130, CHEBI:19613
Last Modified15 February 2017
DownloadsMolfile
FormulaC7H8O5
Net Charge0
Average Mass172.136
Monoisotopic Mass172.03717
SMILESC/C(=C/C=C(/O)C(=O)O)C(=O)O
InChIInChI=1S/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-3,8H,1H3,(H,9,10)(H,11,12)/b4-2-,5-3+
InChIKeyPQXOJASKFLIATD-VOERYJCWSA-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)
2-hydroxy-5-methyl-cis,cis-muconic acid (CHEBI:28249) has functional parent cis,cis-muconic acid (CHEBI:16508)
2-hydroxy-5-methyl-cis,cis-muconic acid (CHEBI:28249) is a enol (CHEBI:33823)
2-hydroxy-5-methyl-cis,cis-muconic acid (CHEBI:28249) is a polyunsaturated dicarboxylic acid (CHEBI:134531)
Synonyms  Source
(2E,4Z)-2-hydroxy-5-methylhexa-2,4-dienedioic acidChEBI
(2E,4Z)-5-methyl-2-hydroxy-2,4-hexadiene-1,6-dioic acidChEBI
Manual XrefsDatabases
C07478KEGG COMPOUND
Registry NumbersSources
Reaxys:1777634Reaxys