Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37849
Common Name:	S-Acetyldihydrolipoamide
Systematic Name:	6-(acetylsulfanyl)-8-sulfanyloctanamide
RefMet Name:	S-Acetyldihydrolipoamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	249.0857 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H19NO2S2
InChIKey:	ARGXEXVCHMNAQU-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	Primary amides [FA0801]
SMILES:	CC(=O)SC(CCCCC(=O)N)CCS
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	1076
LIPID MAPS ID:	LMFA08010023
CHEBI ID:	16807
HMDB ID:	HMDB0001526
KEGG ID:	C01136
Chemspider ID:	1046
METLIN ID:	6299
MetaCyc ID:	S-ACETYLDIHYDROLIPOAMIDE
Plant Metabolite Hub(Pmhub):	MS000017115

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y