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CHEBI:66244 - TMC-96

ChEBI IDCHEBI:66244
ChEBI NameTMC-96
Stars
DefinitionAn 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.
Last Modified6 March 2014
DownloadsMolfile
FormulaC18H32N2O6
Net Charge0
Average Mass372.462
Monoisotopic Mass372.22604
SMILESCC(C)CC(=O)N[C@H](C(=O)NC(CC(C)C)C(=O)C1(CO)CO1)[C@@H](C)O
InChIInChI=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
InChIKeyCEWYDURMTVVVNH-QMOGDXDJSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (10695669) Strain: TC 1094
Roles Classification
Biological Roles:
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.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
proteasome inhibitor  A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:8508507Reaxys
Citations