(6R)-6,8-Dimercaptooctanoic acid (CED0151151)

Record Information
Version1.0
Creation Date2026-04-05 11:44:31 UTC
Update Date2026-04-13 22:27:34 UTC
Accession NumberCHEM100509
Identification
Common Name(6R)-6,8-Dimercaptooctanoic acid
ClassSmall Molecule
Description
(6R)-6,8-Dimercaptooctanoic acid is an organic compound with the chemical formula C8H16O2S2 and an average molecular weight of 208.33 g/mol. (6R)-6,8-Dimercaptooctanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. There are four recorded protein targets for this compound. These include Aminomethyltransferase (gcvT), the mitochondrial Glycine cleavage system H protein (GCSH), and the mitochondrial Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (DLAT). Additionally, it targets the mitochondrial [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3 (PDK3).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H16O2S2
Average Molecular Mass208.330 g/mol
Monoisotopic Mass208.059 g/mol
CAS Registry Number119365-69-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)CCCC[C@@H](S)CCS
InChI IdentifierInChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
InChI KeyIZFHEQBZOYJLPK-SSDOTTSWSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0ki6-7900000000-b1ad1e3fbadb23cbbd47Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-0930000000-bca8afcadf0149037c11Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bvl-1910000000-242bf5b0badd58bb0036Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06vi-9500000000-c6f939d52088593e0075Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ab9-2960000000-a90632cbde19c350032eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-3930000000-cea154c2c149f84ec589Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9200000000-9d3de1d116a68c421aacNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1818.0Log mg/kg[1000:3200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)0.0778492
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)0.544945
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)25.9238
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)37.5233
Betaine--homocysteine S-methyltransferase 1 structureClick to view 3D structureBetaine--homocysteine S-methyltransferase 1Q93088HumansPredicted (SEA)1.08989
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)36.9005
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)80.3404
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)106.42
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)17.1268
Click to view 3D structureN-acetylaspartylglutamate synthase AQ8IXN7HumansPredicted (SEA)6.69503
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)111.169
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)15.1027
Glutamate carboxypeptidase 2 structureClick to view 3D structureGlutamate carboxypeptidase 2Q04609HumansPredicted (SEA)14.7135
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)137.015
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)16.8154
Click to view 3D structurePeptidylglycine alpha-amidating monooxygenaseP14925Rattus norvegicusPredicted (SEA)110.157
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)72.9447
Click to view 3D structureNuclear receptor subfamily 4 group A member 2Q07917Rattus norvegicusPredicted (SEA)6.69503
Gamma-glutamyl hydrolase structureClick to view 3D structureGamma-glutamyl hydrolaseQ92820HumansPredicted (SEA)7.86277
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)6.53933
Lysine-specific demethylase 2A structureClick to view 3D structureLysine-specific demethylase 2AQ9Y2K7HumansPredicted (SEA)42.9728
Click to view 3D structureGlutamate carboxypeptidase 2P70627Rattus norvegicusPredicted (SEA)4.5931
Click to view 3D structureSolute carrier organic anion transporter family member 2B1Q9JHI3Rattus norvegicusPredicted (SEA)6.92858
Click to view 3D structureArginaseQ8I384Plasmodium falciparumPredicted (SEA)6.61718
Click to view 3D structureProstaglandin E2 receptor EP2 subtypeQ62928Rattus norvegicusPredicted (SEA)11.9109
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available