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CHEBI:748629 - asobamast

Default Structure
ChEBI IDCHEBI:748629
ChEBI Nameasobamast
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC13H15N3O5S
Net Charge0
Average Mass325.346
Monoisotopic Mass325.07324
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2cc(C)no2)cs1
InChIInChI=1S/C13H15N3O5S/c1-3-19-4-5-20-12(18)11(17)15-13-14-9(7-22-13)10-6-8(2)16-21-10/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyIKYTUOHXXXPNOG-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
asobamast (CHEBI:748629) is a α-amino acid (CHEBI:33704)
INN  Source
asobamastWHO MedNet
Citations