AntibioticMech

TMC-96

CHEBI:66244 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

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. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:15734 CHEBI:15734
• CHEBI:17087 CHEBI:17087
• CHEBI:29347 CHEBI:29347
• CHEBI:32955 CHEBI:32955
• CHEBI:35681 CHEBI:35681

Chemical structure

Computed structure properties

Molecular formula	C18H32N2O6
Charge	0
Average mass	372.462 Da
Monoisotopic mass	372.22604 Da
Source	ChEBI
InChIKey	CEWYDURMTVVVNH-QMOGDXDJSA-N

SMILES

CC(C)CC(=O)N[C@H](C(=O)NC(CC(C)C)C(=O)C1(CO)CO1)[C@@H](C)O

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

Also called

• N-{1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-N2-(3-methylbutanoyl)-L-threoninamide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• reaxys:8508507

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

• CHEBI:33281 CHEBI:33281

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record

Source	Native ID	Label	Minted CURIE	Version
CHEBI	CHEBI:66244	TMC-96	antibioticmech:chebi-9df783ec2e	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.