CHEBI:66244 - TMC-96

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ChEBI Name TMC-96
ChEBI ID CHEBI:66244
Definition An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an N-(isovaleroyl)threonylleucinyl group. It is a proteasome inhibitor isolated from Saccharothrix.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H32N2O6
Net Charge 0
Average Mass 372.45650
Monoisotopic Mass 372.22604
InChI InChI=1S/C18H32N2O6/c1-10(2)6-13(16(24)18(8-21)9-26-18)19-17(25)15(12(5)22)20-14(23)7-11(3)4/h10-13,15,21-22H,6-9H2,1-5H3,(H,19,25)(H,20,23)/t12-,13?,15+,18?/m1/s1
InChIKey CEWYDURMTVVVNH-QMOGDXDJSA-N
SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)CC(C)C)[C@@H](C)O)C(=O)C1(CO)CO1
Metabolite of Species Details
Saccharothrix (NCBI:txid2071) of strain TC 1094 See: PubMed
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application(s): proteasome inhibitor
A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing TMC-96 (CHEBI:66244) has role antimicrobial agent (CHEBI:33281)
TMC-96 (CHEBI:66244) has role antineoplastic agent (CHEBI:35610)
TMC-96 (CHEBI:66244) has role bacterial metabolite (CHEBI:76969)
TMC-96 (CHEBI:66244) has role proteasome inhibitor (CHEBI:52726)
TMC-96 (CHEBI:66244) is a epoxide (CHEBI:32955)
TMC-96 (CHEBI:66244) is a ketone (CHEBI:17087)
TMC-96 (CHEBI:66244) is a monocarboxylic acid amide (CHEBI:29347)
TMC-96 (CHEBI:66244) is a primary alcohol (CHEBI:15734)
TMC-96 (CHEBI:66244) is a secondary alcohol (CHEBI:35681)
IUPAC Name
N-{1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-N2-(3-methylbutanoyl)-L-threoninamide
Registry Number Type Source
8508507 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10695669 PubMed citation Europe PMC
10724010 PubMed citation Europe PMC
Last Modified
06 March 2014