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CHEBI:134107 - CHIR-090

Default Structure
ChEBI IDCHEBI:134107
ChEBI NameCHIR-090
Stars
DefinitionAn L-threonine derivative obtained by formal condensation of the carboxy group of 4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzoic acid with the amino group of N-hydroxy-L-threoninamide.
Last Modified12 December 2016
SubmitterSteve
DownloadsMolfile
FormulaC24H27N3O5
Net Charge0
Average Mass437.496
Monoisotopic Mass437.19507
SMILESC[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO
InChIInChI=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
InChIKeyFQYBTYFKOHPWQT-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).
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
lipopolysaccharide biosynthesis inhibitor  Any compound that inhibits the biosynthesis of any lipopolysaccharide.
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 NumbersSources
Reaxys:18777591Reaxys
Citations