Basic information
- Standard SMILES
CCC(C)C(=O)SCCC(S)CCCCC(N)=O- InChIKey
UFNCWFSSEGPJNL-UHFFFAOYSA-N- Molecular formula
- C13H25NO2S2
- Average molar mass
- 291.5 g/mol
- Monoisotopic mass
- 291.13267139
Overview
S(8)-(2-methylbutanoyl)dihydrolipoamide is a S-(methylbutanoyl)dihydrolipoamide. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- S-(2-methylbutanoyl)-dihydrolipoamide
- IUPAC
- S-(8-amino-8-oxo-3-sulfanyloctyl) 2-methylbutanethioate
Names & synonyms
S-(2-Methylbutanoyl)-dihydrolipoamideS(8)-(2-methylbutanoyl)dihydrolipoamideCHEBI:28692S-(2-methylbutyryl)dihydrolipoamideS-(2-methylbutanoyl)dihydrolipoyllysineRefChem:180532S-(8-amino-8-oxo-3-sulfanyloctyl) 2-methylbutanethioateC051188-[(2-methylbutanoyl)sulfanyl]-6-sulfanyloctanamideSCHEMBL4360197DTXSID001344831Q27103839
Database identifiers
- PubChem CID
- 440565
- DTXSID
DTXSID001344831- ChEBI
CHEBI:28692- Nikkaji
- J2.754.728A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Metabolite Pathways2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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