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CHEBI:85272 - (S)-flumequine

ChEBI IDCHEBI:85272
ChEBI Name(S)-flumequine
Stars
ASCII Name(S)-flumequine
DefinitionA 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (S)-enantiomer of flumequine.
Last Modified19 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H12FNO3
Net Charge0
Average Mass261.252
Monoisotopic Mass261.08012
SMILESC[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
InChIInChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m0/s1
InChIKeyDPSPPJIUMHPXMA-ZETCQYMHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
(S)-flumequine (CHEBI:85272) is a 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid (CHEBI:85269)
(S)-flumequine (CHEBI:85272) is enantiomer of (R)-flumequine (CHEBI:85273)
Incoming Relation(s)
flumequine (CHEBI:85267) has part (S)-flumequine (CHEBI:85272)
(R)-flumequine (CHEBI:85273) is enantiomer of (S)-flumequine (CHEBI:85272)
IUPAC Name 
(5S)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid
Registry NumbersSources
Reaxys:8273774Reaxys