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CHEBI:192998 - (E)-PYR-41

ChEBI IDCHEBI:192998
ChEBI Name(E)-PYR-41
Stars
ASCII Name(E)-PYR-41
DefinitionA PYR-41 that has (E)-configuration.
Last Modified23 August 2022
SubmitterAdnan
DownloadsMolfile
FormulaC17H13N3O7
Net Charge0
Average Mass371.305
Monoisotopic Mass371.07535
SMILESCCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1
InChIInChI=1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21)/b13-9+
InChIKeyARGIPZKQJGFSGQ-UKTHLTGXSA-N
Roles Classification
Biological Role:
EC 6.2.1.45 (E1 ubiquitin-activating enzyme) inhibitor  An EC 6.2.1.* (acid-thiol ligase) inhibitor that interferes with the action of E1 ubiquitin-activating enzyme (EC 6.2.1.45).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(E)-PYR-41 (CHEBI:192998) is a PYR-41 (CHEBI:192973)
IUPAC Name 
ethyl 4-{(4E)-4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate