Thioctic Acid - PubChem Public Chemical Database

Thioctic Acid - Substance Summary (SID 3990)

An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.

Table of Contents

Drug and Chemical Information

Pharmacological Action

Pharmacological Classification

Chemical Classification

Safety and Toxicology

Substance Information

Comments

Exports

Drug and Chemical Information: (Total:1)

Thioctic Acid

Pharmacological Action

Antioxidants - Naturally occurring or synthetic substances that inhibit or retard the oxidation of a substance to which it is added. They counteract the harmful and damaging effects of oxidation in animal tissues.

Vitamin B Complex - A group of water-soluble vitamins, some of which are COENZYMES.

Pharmacological Classification

Chemical Actions and Uses

Pharmacologic Actions

Molecular Mechanisms of Pharmacological Action

Antioxidants

Physiological Effects of Drugs

Growth Substances

Micronutrients

Vitamins

Vitamin B Complex

Protective Agents

Antioxidants

Specialty Uses of Chemicals

Protective Agents

Antioxidants

Chemical Classification

Enzymes and Coenzymes

Coenzymes

Thioctic Acid

Lipids

Fatty Acids

Thioctic Acid

Organic Chemicals

Carboxylic Acids

Thioctic Acid

Sulfur Compounds

Thiophenes

Thioctic Acid

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature

ClinicalTrials.gov - Registry of federal and private clinical trials

Literature Choose by Subheadings:

administration and dosage	adverse effects	analogs and derivatives
analysis	antagonists and inhibitors	biosynthesis
blood	cerebrospinal fluid	chemical synthesis
chemistry	deficiency	diagnostic use
economics	genetics	history
immunology	isolation and purification	metabolism
pharmacokinetics	pharmacology	physiology
radiation effects	therapeutic use	therapy
toxicity	urine

Literature Keyword Mining Tool

Data Source:

Depositor: KEGG
External ID: C00725

Properties Computed from Structure:

Molecular Weight	206.32556 [g/mol]
Molecular Formula	C₈H₁₄O₂S₂
XLogP3-AA	1.7
H-Bond Donor	1
H-Bond Acceptor	2
Rotatable Bond Count	5
Exact Mass	206.043521
MonoIsotopic Mass	206.043521
Topological Polar Surface Area	37.3
Heavy Atom Count	12
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	1
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid
Canonical SMILES: C1CSSC1CCCCC(=O)O
InChI: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)

InChIKey: AGBQKNBQESQNJD-UHFFFAOYSA-N

Substance Information:

SID 3990

Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 864

Create Date: 2004-09-16

Related Substances:

Same: 61 Links
Same, Connectivity: 94 Links

Similar Substances: 183 Links

Depositor-Supplied Comments:

CAS: 62-46-4
ChEBI: 16494 30314
3DMET: B00160
Same as: D00086
Is a reactant or product of enzyme EC 1.4.1.12
Is a reactant or product of enzyme EC 1.21.4.1
Is a reactant or product of enzyme EC 2.7.7.63

ASN1

XML

SDF


	2D		3D

Compound ID	864
Molecular Weight	206.32556 [g/mol]
Molecular Formula	C₈H₁₄O₂S₂
XLogP3-AA	1.7
H-Bond Donor	1
H-Bond Acceptor	2

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Chemical Structure Search


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