CHEBI:131614 - tarocin A1

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ChEBI Name tarocin A1 ChEBI ID CHEBI:131614 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H18F6N2O3 Net Charge 0 Average Mass 496.403 Monoisotopic Mass 496.12216 InChI InChI=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 InChIKey XWMRKUPNQVITEC-ZSEKCTLFSA-N SMILES N1(C(O[C@@H]([C@@H]1C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=O)C(=O)CCC=3C4=C(C=NC3)C=CC=C4 Roles Classification Biological Role(s): teichoic acid biosynthesis inhibitor Any compound that inhibits the biosynthesis of teichoic acid. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Citation Type Source 26962156 PubMed citation Europe PMC Last Modified 08 July 2016