Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-23 23:18:57 UTC
Update Date2024-04-30 20:33:49 UTC
Metabolite IDMMDBc0047958
Metabolite Identification
Common NameS-(2-Methylpropionyl)-dihydrolipoamide-E
DescriptionS-(2-Methylpropionyl)-dihydrolipoamide-E is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15977). It is the second to last step in the synthesis of branched chain fatty acid and is converted from 2-methyl-1-hydroxypropyl-ThPP via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to isobutyryl-CoA via the enzyme dihydrolipoyllysine-residue (2-methylpropanoyl)transferase [EC:2.3.1.168].
Structure
Synonyms
ValueSource
S-(2-Methylpropanoyl)-dihydrolipoamideChEBI
S-(2-Methylpropionyl)-dihydrolipoamideChEBI
S-(2-Methylpropanoyl)-dihydrolipoamide-eHMDB
[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase]S-(2-methylpropanoyl)dihydrolipoyllysineHMDB
Molecular FormulaC12H23NO2S2
Average Mass277.447
Monoisotopic Mass277.117020365
IUPAC Name8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
Traditional Name8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
CAS Registry NumberNot Available
SMILES
CC(C)C(=O)SCCC(S)CCCCC(N)=O
InChI Identifier
InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
InChI KeyUEFURMXXHJCLJP-UHFFFAOYSA-N