Alpha-lipoic Acid
Alpha_lipoic_acid synonyms
lipoic acid; biomolipon; THIOCTIC ACID; alpha-Lipoic Acid; (+/-)-1,2-Dithiolane-3-pentanoic acid; Liposan; 1,2-Dithiolane-3-pentanoic acid, (+-)- (9CI); Thioctansaeure; espa lipon; 1,2-Dithiolane-3-valeric acid, (.+-.)-; Lipothion
Graphical representations:
View large 3D structure
Molecular Formula: C8H14O2S2
Natural Isotopic Abundance Mass: 206.32556
Mono-Isotopic Molecular Masses:
- C12N14: 206.0435210736
- C13N14: 214.070359776
- C12N15: 206.0435210736
- C13N15: 214.070359776
InChI string: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
PubChem Compound (CID): 864CAS Registry number: 1077-28-7 62-46-4
Sigma-Aldrich: T1395_SIGMA
ChEBI: CHEBI:16494
ChemBank: BSPBio_002835
BioCyc: LIPOIC-ACID
ChemIDplus: 001077287
ChemSpider: 13845409
EINECS: 214-071-2
NIAID: 030563
Comparative Toxicogenomics Database: D008063
DTP/NCI: 90788
EPA DSSTox: 34047
BindingDB: 10515
NINDS Approved Drug Screening Program: 01503941
KEGG Compound ID: D00086
Beilstein Handbook Reference: 5-19-07-00237
ChemDB: 3968792
NCGC: NCGC00090872-01
NIST Chemistry WebBook: 1386776134
MMCD: cq_00491
MDL: MFCD00005474
PDB Compound ID: LPA
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)