Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 21:54:57 UTC
Update Date2022-09-01 02:14:29 UTC
Metabolite IDMMDBc0048260
Metabolite Identification
Common Name5-Carboxymethyl-2-hydroxymuconate semialdehyde
Description5-formyl-2-hydroxyhepta-2,4-dienedioic acid, also known as 2-hydroxy-5-carboxymethylmuconate semialdehyde or 5-carboxymethyl-2-hydroxymuconic semialdehyde, 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. Based on a literature review a significant number of articles have been published on 5-formyl-2-hydroxyhepta-2,4-dienedioic acid.
Structure
Synonyms
ValueSource
2-Hydroxy-5-carboxymethylmuconate semialdehydeChEBI
5-Carboxymethyl-2-hydroxymuconate semialdehydeChEBI
5-Carboxymethyl-2-hydroxymuconic semialdehydeChEBI
2-Hydroxy-5-carboxymethylmuconic acid semialdehydeGenerator
5-Carboxymethyl-2-hydroxymuconic acid semialdehydeGenerator
5-Formyl-2-hydroxyhepta-2,4-dienedioateGenerator
Molecular FormulaC8H8O6
Average Mass200.146
Monoisotopic Mass200.032087978
IUPAC Name(2Z,4Z)-5-formyl-2-hydroxyhepta-2,4-dienedioic acid
Traditional Name(2Z,4Z)-5-formyl-2-hydroxyhepta-2,4-dienedioic acid
CAS Registry NumberNot Available
SMILES
[H]C(=O)C(\CC(O)=O)=C/C=C(\O)C(O)=O
InChI Identifier
InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2-
InChI KeyNLXIEJRQAIHYPN-IOBHVTPZSA-N