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> Main
CHEBI:66244 - TMC-96
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ChEBI Ontology
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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.
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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}-
N
2
-
(3-
methylbutanoyl)-
L
-
threoninamide
Registry Number
Type
Source
8508507
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10695669
PubMed citation
Europe PMC
10724010
PubMed citation
Europe PMC
Last Modified
06 March 2014