Basic information
- Standard SMILES
CC(=O)SC(CCS)CCCCC(N)=O- InChIKey
ARGXEXVCHMNAQU-UHFFFAOYSA-N- Molecular formula
- C10H19NO2S2
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.0857212
Overview
S(6)-acetyldihydrolipoamide is a S-substituted dihydrolipoamide. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- S-Acetyldihydrolipoamide
- IUPAC
- S-(8-amino-8-oxo-1-sulfanyloctan-3-yl) ethanethioate
Names & synonyms
S-acetyldihydrolipoamide6-(acetylsulfanyl)-8-sulfanyloctanamideS(6)-acetyldihydrolipoamideS-(8-amino-8-oxo-1-sulfanyloctan-3-yl) ethanethioateCHEBI:168076-acetylsulfanyl-8-sulfanyl-octanamideS-[6-amino-6-oxo-1-(2-sulfanylethyl)hexyl] ethanethioic acidS-(6-Amino-6-oxo-1-(2-sulfanylethyl)hexyl) ethanethioic acidRefChem:1806176-S-AcetyldihydrolipoamideS-[6-amino-6-oxo-1-(2-sulfanylethyl)hexyl] ethanethioateC01136
Show more names
SCHEMBL4364680DTXSID501343145LMFA08010023Q27102084
Database identifiers
- PubChem CID
- 1076
- DTXSID
DTXSID501343145- ChEBI
CHEBI:16807- Nikkaji
- J2.731.632H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> Primary amides [FA0801]
Physical DescriptionSolid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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