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CHEBI:201746 - CBM-301940

Default Structure
ChEBI IDCHEBI:201746
ChEBI NameCBM-301940
Stars
Last Modified11 May 2026
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20F6N2O5
Net Charge0
Average Mass422.322
Monoisotopic Mass422.12764
SMILESCC(CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)
InChIKeySBPVPWWNQIKSKL-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 4.1.1.9 (malonyl-CoA decarboxylase) inhibitor  Any EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of malonyl-CoA decarboxylase (EC 4.1.1.9).
ChEBI Ontology
Outgoing Relation(s)
CBM-301940 (CHEBI:201746) has role EC 4.1.1.9 (malonyl-CoA decarboxylase) inhibitor (CHEBI:747693)
CBM-301940 (CHEBI:201746) is a tert-butyl ester (CHEBI:140402)
CBM-301940 (CHEBI:201746) is a isoxazoline (CHEBI:87553)
CBM-301940 (CHEBI:201746) is a organofluorine compound (CHEBI:37143)
CBM-301940 (CHEBI:201746) is a secondary carboxamide (CHEBI:140325)
CBM-301940 (CHEBI:201746) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
tert-butyl 3-{[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]carboxamido}butanoate
Synonyms  Source
CBM 301940ChEBI
CBM301940ChEBI
tert-butyl 3-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxamido)butanoateChEBI
Manual XrefsDatabases
8562931ChemSpider
Citations