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CHEBI:131614 - tarocin A1

ChEBI IDCHEBI:131614
ChEBI Nametarocin A1
Stars
DefinitionA member of the class of oxazolidinones that is oxazolidin-2-one substituted at positions 3, 4 and 5 by 3-(isoquinolin-4-yl)propanoyl, methyl and 3,5-bis(trifluoromethyl)phenyl groups respectively. An inhibitor of teichoic acid biosynthesis.
Last Modified8 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC24H18F6N2O3
Net Charge0
Average Mass496.407
Monoisotopic Mass496.12216
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)CCc1cncc2ccccc12
InChIInChI=1S/C24H18F6N2O3/c1-13-21(16-8-17(23(25,26)27)10-18(9-16)24(28,29)30)35-22(34)32(13)20(33)7-6-15-12-31-11-14-4-2-3-5-19(14)15/h2-5,8-13,21H,6-7H2,1H3/t13-,21-/m0/s1
InChIKeyXWMRKUPNQVITEC-ZSEKCTLFSA-N
Roles Classification
Biological Role:
teichoic acid biosynthesis inhibitor  Any compound that inhibits the biosynthesis of teichoic acid.
ChEBI Ontology
Outgoing Relation(s)
tarocin A1 (CHEBI:131614) has functional parent oxazolidin-2-one (CHEBI:1237)
tarocin A1 (CHEBI:131614) has role teichoic acid biosynthesis inhibitor (CHEBI:131611)
tarocin A1 (CHEBI:131614) is a (trifluoromethyl)benzenes (CHEBI:83565)
tarocin A1 (CHEBI:131614) is a carbamate ester (CHEBI:23003)
tarocin A1 (CHEBI:131614) is a dicarboximide (CHEBI:35356)
tarocin A1 (CHEBI:131614) is a isoquinolines (CHEBI:24922)
tarocin A1 (CHEBI:131614) is a oxazolidinone (CHEBI:55374)
IUPAC Name 
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(isoquinolin-4-yl)propanoyl]-4-methyl-1,3-oxazolidin-2-one
Citations