CHEBI:134107 - CHIR-090

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CHIR-090
ChEBI ID CHEBI:134107
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H27N3O5
Net Charge 0
Average Mass 437.489
Monoisotopic Mass 437.19507
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
SMILES O1CCN(CC1)CC2=CC=C(C=C2)C#CC3=CC=C(C(=O)N[C@@H]([C@H](O)C)C(=O)NO)C=C3
Roles Classification
Biological Role(s): 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.
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
18777591 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17335290 PubMed citation Europe PMC
18025458 PubMed citation Europe PMC
20516283 PubMed citation Europe PMC
21171638 PubMed citation Europe PMC
22024823 PubMed citation Europe PMC
26833150 PubMed citation Europe PMC
27330072 PubMed citation Europe PMC
27526195 PubMed citation Europe PMC
PMC3197220 PubMed Central citation Europe PMC
Last Modified
12 December 2016