CHEBI:131615 - tarocin A2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tarocin A2
ChEBI ID CHEBI:131615
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C22H18F3N3O3
Net Charge 0
Average Mass 429.393
Monoisotopic Mass 429.130
InChI InChI=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
InChIKey HDCFKIPEUIIJHB-DJJJIMSYSA-N
SMILES N1(C(O[C@@H]([C@@H]1C)C2=CC(=CC=C2)C(F)(F)F)=O)C(=O)NCC=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 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
Citation Waiting for Citations Type Source
26962156 PubMed citation Europe PMC
Last Modified
08 July 2016