CHEBI:30313 - lipoate

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ChEBI Name lipoate
ChEBI ID CHEBI:30313
Definition A thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14519, CHEBI:25056
Supplier Information ChemicalBook:CB92131154
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Formula C8H13O2S2
Net Charge -1
Average Mass 205.31962
Monoisotopic Mass 205.03625
InChI InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1
InChIKey AGBQKNBQESQNJD-UHFFFAOYSA-M
SMILES [O-]C(=O)CCCCC1CCSS1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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 Sources
1,2-dithiolane-3-pentanoate ChEBI
1,2-dithiolane-3-valerate ChEBI
5-(1,2-dithiolan-3-yl)pentanoate ChEBI
5-(1,2-dithiolan-3-yl)valerate ChEBI
5-(dithiolan-3-yl)valerate ChEBI
5-[1,2]Dithiolan-3-yl-pentanoate ChEBI
5-[3-(1,2-dithiolanyl)]pentanoate ChEBI
6,8-thioctate ChEBI
6,8-thiotate ChEBI
6-thioctate ChEBI
6-thiotate ChEBI
liponate ChEBI
thioctate ChEBI
Registry Numbers Types Sources
2110645 Gmelin Registry Number Gmelin
4993294 Reaxys Registry Number Reaxys
Last Modified
24 November 2014