RED

DIHYDROLIPOIC ACID

Created:	2000-01-11
Last modified:	2024-09-27

Find Related PDB Entry
5 entries where RED is found as a standalone ligand3 entries where RED is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	DIHYDROLIPOIC ACID
Systematic Name (OpenEye OEToolkits)	(6R)-6,8-bis-sulfanyloctanoic acid
Formula	C₈ H₁₆ O₂ S₂
Molecular Weight	208.341
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCC(S)CCS
SMILES	CACTVS	3.341	OC(=O)CCCC[CH](S)CCS
SMILES	OpenEye OEToolkits	1.5.0	C(CCC(=O)O)CC(CCS)S
Canonical SMILES	CACTVS	3.341	OC(=O)CCCC[C@@H](S)CCS
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCC(=O)O)C[C@H](CCS)S
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	IZFHEQBZOYJLPK-SSDOTTSWSA-N

Drug Info: DrugBank

DrugBank ID	DB03760
Name	Dihydrolipoic Acid
Groups	experimental
Synonyms	Dihydrolipoic Acid
Categories	Antioxidants Biological Factors Coenzymes Compounds used in a research, industrial, or household setting Enzymes and Coenzymes Fatty Acids Lipids Protective Agents Sulfur Compounds Thiophenes
CAS number	462-20-4

Drug Targets

Name	Target Sequence	Pharmacological Action
Glycine cleavage system H protein, mitochondrial	MALRVVRSVRALLCTLRAVPSPAAPCPPRPWQLGVGAVRTLRTGPALLSV...	unknown
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial	MWRVCARRAQNVAPWAGLEARWTALQEVPGTPRVTSRSGPAPARRNSVTT...	unknown
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial	MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLR...	unknown
Aminomethyltransferase	MKRTPLFEKHVELGAKMVDFAGWEMPLYYTSIFEEVMAVRKSVGMFDVSH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682