Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-23 23:18:59 UTC
Update Date2024-04-30 20:33:49 UTC
Metabolite IDMMDBc0047959
Metabolite Identification
Common NameS-(2-Methylbutanoyl)-dihydrolipoamide
DescriptionS-(2-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in isoleucine degradation. S-(2-Methylbutanoyl)-dihydrolipoamide is normally conjugated to a lysine residue of the methylpropanoyltransferase enzyme (E stands for enzyme). The structure shown here is the free form. Specifically S-(2-Methylbutanoyl)-dihydrolipoamide-E is the 2-methylbutanoyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue (2-methylpropanoyl)transferase.
Structure
Synonyms
ValueSource
S-(2-Methylbutanoyl)dihydrolipoyllysineHMDB
[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase]HMDB
Molecular FormulaC13H25NO2S2
Average Mass291.473
Monoisotopic Mass291.132670429
IUPAC Name8-[(2-methylbutanoyl)sulfanyl]-6-sulfanyloctanamide
Traditional Name8-[(2-methylbutanoyl)sulfanyl]-6-sulfanyloctanamide
CAS Registry NumberNot Available
SMILES
CCC(C)C(=O)SCCC(S)CCCCC(N)=O
InChI Identifier
InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)
InChI KeyUFNCWFSSEGPJNL-UHFFFAOYSA-N