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CHEBI:170058 - 6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

ChEBI IDCHEBI:170058
ChEBI Name6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H11ClN4OS
Net Charge0
Average Mass342.811
Monoisotopic Mass342.03421
SMILESN#CC1=C(Nc2ccccc2Cl)SC(c2ccncc2)NC1=O
InChIInChI=1S/C16H11ClN4OS/c17-12-3-1-2-4-13(12)20-16-11(9-18)14(22)21-15(23-16)10-5-7-19-8-6-10/h1-8,15,20H,(H,21,22)
InChIKeyQYZOOZUXCBFMHV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile (CHEBI:170058) is a substituted aniline (CHEBI:48975)
IUPAC Name 
6-(2-chloroanilino)-4-oxo-2-pyridin-4-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
Manual XrefsDatabases
303698ChemSpider