Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52411
Common Name:	(R)-dihydrolipoic acid
Systematic Name:	(6R)-6,8-bis(sulfanyl)octanoic acid
RefMet Name:	(R)-Dihydrolipoic acid
Synonyms:	(6R)-6,8-dihydrothioctic acid; (6R)-DHLA; (R)-6,8-Dihydrothioctic acid; (R)-DHLA; RDHLA [PubChem Synonyms]
Exact Mass:	208.0592 (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:	C8H16O2S2
InChIKey:	IZFHEQBZOYJLPK-SSDOTTSWSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
MoNA MS spectra:	View MS spectra
SMILES:	C(CCC(=O)O)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:	9834298
CHEBI ID:	45230
HMDB ID:	HMDB0012210
Plant Metabolite Hub(Pmhub):	MS000013755

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