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CHEBI:134107 - CHIR-090
| Formula | C24H27N3O5 |
| Net Charge | 0 |
| Average Mass | 437.496 |
| Monoisotopic Mass | 437.19507 |
| SMILES | C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO |
| InChI | InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1 |
| InChIKey | FQYBTYFKOHPWQT-VGSWGCGISA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of UDP-3-O-acyl-N-acetylglucosamine deacetylase (EC 3.5.1.108). lipopolysaccharide biosynthesis inhibitor Any compound that inhibits the biosynthesis of any lipopolysaccharide. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CHIR-090 (CHEBI:134107) has role antimicrobial agent (CHEBI:33281) |
| CHIR-090 (CHEBI:134107) has role EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor (CHEBI:134109) |
| CHIR-090 (CHEBI:134107) has role lipopolysaccharide biosynthesis inhibitor (CHEBI:134108) |
| CHIR-090 (CHEBI:134107) is a L-threonine derivative (CHEBI:84189) |
| CHIR-090 (CHEBI:134107) is a acetylenic compound (CHEBI:73474) |
| CHIR-090 (CHEBI:134107) is a benzamides (CHEBI:22702) |
| CHIR-090 (CHEBI:134107) is a hydroxamic acid (CHEBI:24650) |
| CHIR-090 (CHEBI:134107) is a morpholines (CHEBI:38785) |
| IUPAC Name |
|---|
| N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide |
| Registry Numbers | Sources |
|---|---|
| Reaxys:18777591 | Reaxys |
| Citations |
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