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CHEBI:131615 - tarocin A2

ChEBI IDCHEBI:131615
ChEBI Nametarocin A2
Stars
DefinitionA member of the class of oxazolidinones that is oxazolidin-2-one substituted at positions 3, 4 and 5 by 3-(isoquinolin-4-ylmethyl)carbamoyl, methyl and 3-(trifluoromethyl)phenyl groups respectively. An inhibitor of teichoic acid biosynthesis.
Last Modified8 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H18F3N3O3
Net Charge0
Average Mass429.398
Monoisotopic Mass429.13003
SMILESC[C@H]1[C@@H](c2cccc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cncc2ccccc12
InChIInChI=1S/C22H18F3N3O3/c1-13-19(14-6-4-7-17(9-14)22(23,24)25)31-21(30)28(13)20(29)27-12-16-11-26-10-15-5-2-3-8-18(15)16/h2-11,13,19H,12H2,1H3,(H,27,29)/t13-,19-/m0/s1
InChIKeyHDCFKIPEUIIJHB-DJJJIMSYSA-N
Roles Classification
Biological Role:
teichoic acid biosynthesis inhibitor  Any compound that inhibits the biosynthesis of teichoic acid.
ChEBI Ontology
Outgoing Relation(s)
tarocin A2 (CHEBI:131615) has functional parent oxazolidin-2-one (CHEBI:1237)
tarocin A2 (CHEBI:131615) has role teichoic acid biosynthesis inhibitor (CHEBI:131611)
tarocin A2 (CHEBI:131615) is a (trifluoromethyl)benzenes (CHEBI:83565)
tarocin A2 (CHEBI:131615) is a N-acylurea (CHEBI:74266)
tarocin A2 (CHEBI:131615) is a carbamate ester (CHEBI:23003)
tarocin A2 (CHEBI:131615) is a dicarboximide (CHEBI:35356)
tarocin A2 (CHEBI:131615) is a isoquinolines (CHEBI:24922)
tarocin A2 (CHEBI:131615) is a oxazolidinone (CHEBI:55374)
IUPAC Name 
(4S,5R)-N-[(isoquinolin-4-yl)methyl]-4-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide
Citations