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CHEBI:758409 - arlipoic acid choline ester

Default Structure
ChEBI IDCHEBI:758409
ChEBI Namearlipoic acid choline ester
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC13H26NO2S2
Net Charge+1
Average Mass292.490
Monoisotopic Mass292.13995
SMILESC[N+](C)(C)CCOC(=O)CCCC[C@@H]1CCSS1
InChIInChI=1S/C13H26NO2S2/c1-14(2,3)9-10-16-13(15)7-5-4-6-12-8-11-17-18-12/h12H,4-11H2,1-3H3/q+1/t12-/m1/s1
InChIKeyBJNSJJXGLIMYAJ-GFCCVEGCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
arlipoic acid choline ester (CHEBI:758409) is a dithiolanes (CHEBI:39192)
arlipoic acid choline ester (CHEBI:758409) is a heterocyclic fatty acid (CHEBI:48847)
arlipoic acid choline ester (CHEBI:758409) is a thia fatty acid (CHEBI:59643)
Synonym  Source
Arlipoic acid choline esterChEMBL