Molecular Identity
thioctic acid
5-(dithiolan-3-yl)pentanoic acid
PubChem CID: 864
Lipoic acid is a heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. It has a role as a geroprotector and a fundamental metabolite. It is a member of dithiolanes, a heterocyclic fatty acid and a thia fatty acid. It is functionally related to an octanoic acid. It is a conjugate acid of a lipoate.
2D Structure
Properties
C8H14O2S2
Molecular Formula
206.30
Molecular Weight
g/mol
206.0435
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
87.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
150
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
thioctic acidalpha-Lipoic acid6,8-Thioctic acidBiletanalpha Lipoic AcidDL-6,8-Thioctic acid5-(dithiolan-3-yl)pentanoic acidThioctsanthioctateThiocacidThioctanTioctic AcidAcidum thiocticumA-lipoicum acidumLipoic acid, dl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to thioctic acid
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