Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:51:15 UTC
Update Date2022-08-12 20:09:22 UTC
Metabolite IDMMDBc0055404
Metabolite Identification
Common Name3-oxoadipate
Description3-oxoadipate, also known as 3-oxoadipic acid, belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Based on a literature review a significant number of articles have been published on 3-oxoadipate.
Structure
Synonyms
ValueSource
3-Keto-adipateChEBI
3-Keto-adipic acidGenerator
3-Oxoadipic acidGenerator
Molecular FormulaC6H6O5
Average Mass158.11
Monoisotopic Mass158.022620453
IUPAC Name3-oxohexanedioate
Traditional Nameβ-ketoadipate
CAS Registry NumberNot Available
SMILES
[O-]C(=O)CCC(=O)CC([O-])=O
InChI Identifier
InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)/p-2
InChI KeyRTGHRDFWYQHVFW-UHFFFAOYSA-L