Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:00:09 UTC
Update Date2022-09-01 02:27:55 UTC
Metabolite IDMMDBc0054226
Metabolite Identification
Common Name3-hydroxy-cis,cis-muconic acid
Description3-hydroxy-cis,cis-muconic acid belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 3-hydroxy-cis,cis-muconic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Synonyms
ValueSource
3-Hydroxy-cis,cis-muconateChEBI
Molecular FormulaC6H6O5
Average Mass158.109
Monoisotopic Mass158.021523293
IUPAC Name(2Z,4E)-4-hydroxyhexa-2,4-dienedioic acid
Traditional Name3-hydroxy-cis,cis-muconate
CAS Registry NumberNot Available
SMILES
OC(=O)\C=C/C(/O)=C\C(O)=O
InChI Identifier
InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b2-1-,4-3+
InChI KeyDLKZGMNZEDNHKO-BXTBVDPRSA-N