Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	39075
Common Name:	S-(2-Methylpropionyl)-dihydrolipoamide-E
Systematic Name:	8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
RefMet Name:	S-(2-Methylpropionyl)-dihydrolipoamide-E
Synonyms:	[PubChem Synonyms]
Exact Mass:	277.1170 (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:	C12H23NO2S2
InChIKey:	UEFURMXXHJCLJP-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	Primary amides [FA0801]
SMILES:	CC(C)C(=O)SCCC(CCCCC(=O)N)S
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	11953835
LIPID MAPS ID:	LMFA08010022
CHEBI ID:	17577
HMDB ID:	HMDB0006868
KEGG ID:	C04424
Chemspider ID:	10128135
Plant Metabolite Hub(Pmhub):	MS000018337

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