RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153095
RefMet name	Dihydrolipoamide
Systematic name	(6R)-6,8-disulfanyloctanamide
Synonyms	PubChem Synonyms
Exact mass	207.075158 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C8H17NOS2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	56523 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m1/s1
InChIKey	VLYUGYAKYZETRF-SSDOTTSWSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCC(=O)N)C[C@H](CCS)S Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty amides
Sub Class	Primary amides
Distribution of Dihydrolipoamide in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Dihydrolipoamide
External Links
Pubchem CID	445160
LIPID MAPS	LMFA08010014
ChEBI ID	17694
KEGG ID	C00579
HMDB ID	HMDB0000985
MetaCyc ID	DIHYDROLIPOAMIDE
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)