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CHEBI:30313 - lipoate

ChEBI IDCHEBI:30313
ChEBI Namelipoate
Stars
DefinitionA thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3.
Secondary ChEBI IDsCHEBI:14519, CHEBI:25056
Last Modified24 November 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H13O2S2
Net Charge-1
Average Mass205.324
Monoisotopic Mass205.03625
SMILESO=C([O-])CCCCC1CCSS1
InChIInChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1
InChIKeyAGBQKNBQESQNJD-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
lipoate (CHEBI:30313) has functional parent octanoate (CHEBI:25646)
lipoate (CHEBI:30313) has role fundamental metabolite (CHEBI:78675)
lipoate (CHEBI:30313) has role human metabolite (CHEBI:77746)
lipoate (CHEBI:30313) is a thia fatty acid anion (CHEBI:59848)
lipoate (CHEBI:30313) is conjugate base of lipoic acid (CHEBI:16494)
Incoming Relation(s)
(R)-lipoate (CHEBI:83088) is a lipoate (CHEBI:30313)
lipoic acid (CHEBI:16494) is conjugate acid of lipoate (CHEBI:30313)
IUPAC Name 
5-(1,2-dithiolan-3-yl)pentanoate
Synonyms  Source
6-thiotateChEBI
5-(dithiolan-3-yl)valerateChEBI
6-thioctateChEBI
liponateChEBI
thioctateChEBI
6,8-thiotateChEBI
Registry NumbersSources
Gmelin:2110645Gmelin
Reaxys:4993294Reaxys