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Thioctate

CHEBI:CHEBI_30313

Definition

A thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3.

Chemical Information

Molecular Formula
C8H13O2S2
Molecular Mass
205.31962
Charge
-1
SMILES
[O-]C(=O)CCCCC1CCSS1
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

Alternative Names

  • 1,2-dithiolane-3-pentanoate
  • 1,2-dithiolane-3-valerate
  • 5-(1,2-dithiolan-3-yl)pentanoate
  • 5-(1,2-dithiolan-3-yl)pentanoate
  • 5-(1,2-dithiolan-3-yl)valerate
  • 5-(dithiolan-3-yl)valerate
  • 5-[1,2]Dithiolan-3-yl-pentanoate
  • 5-[3-(1,2-dithiolanyl)]pentanoate
  • 6-thioctate
  • 6-thiotate
  • 6,8-thioctate
  • 6,8-thiotate
  • liponate
  • thioctate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
618060
core#notation
CHEBI:30313
oboInOwl#hasDbXref
Reaxys:4993294

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
618060
oboInOwl#hasAlternativeId
CHEBI:25056
oboInOwl#id
CHEBI:30313
core#notation
CHEBI:30313
oboInOwl#hasDbXref
Reaxys:4993294
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_25646
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_16494
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_78675
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_16494
owl#someValuesFrom
t3511486
owl#annotatedSource
t173250