Lipoic acid

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Systematic / IUPAC Name: 5-(Dithiolan-3-yl)pentanoic acid

ID: Reference319

Other Names: Thiooctanoic acid;
1,2-Dithiolane-3-valerate;
Thioctanoic acid;
5-(Dithiolan-3-yl)valerate;
1,2-Dithiolane-3-pentanoate ; more

Formula: C8H14O2S2

Class: Endogenous Metabolites

Spectral Data

Lipoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 181
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/15/2014 1:25:25 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
InChI Key AGBQKNBQESQNJD-SSDOTTSWSA-N
Canonical SMILES C1CSSC1CCCCC(=O)O
CAS 1077287
Splash
Other Names Thiooctanoic acid;
1,2-Dithiolane-3-valerate;
Thioctanoic acid;
5-(Dithiolan-3-yl)valerate;
1,2-Dithiolane-3-pentanoate;
5-(1,2-Dithiolan-3-yl)valerate;
5-(1,2-Dithiolan-3-yl)pentanoate;
δ-[3-(1,2-Dithiacyclopentyl)]pentanoate;
δ-[3-(1,2-Dithiacyclopentyl)]pentanoic acid;
Heparlipon;
Lipoate;
Thioctsan;
Thioctidase;
Protogen A;
Liponate;
Thioctate;
6-Thioctate;
6-Thiotate;
Tioctidasi acetate replacing factor;
α-Lipoic acid

In Other Databases

LipidsMAPs LMFA01130001
PubChem 6112
Wikipedia Lipoic acid
HMDb HMDB01451
KEGG C00725; D00086; C16241
ChEMBL CHEMBL134342
ChEBI CHEBI:30314
ChemIDPlus 000062464; 001200222
ChemSpider 5886