Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56523
Common Name:	(R)-dihydrolipoamide
Systematic Name:	(6R)-6,8-disulfanyloctanamide
RefMet Name:	Dihydrolipoamide
Synonyms:	(R)-dihydrolipoamide; 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE [PubChem Synonyms]
Exact Mass:	207.0752 (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:	C8H17NOS2
InChIKey:	VLYUGYAKYZETRF-SSDOTTSWSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	Primary amides [FA0801]
SMILES:	C(CCC(=O)N)C[C@H](CCS)S
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	445160
LIPID MAPS ID:	LMFA08010014
CHEBI ID:	43711
HMDB ID:	HMDB0000985
MetaCyc ID:	DIHYDROLIPOAMIDE
Plant Metabolite Hub(Pmhub):	MS000016909

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