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CHEBI:147360 - (S)-imazaquin

ChEBI IDCHEBI:147360
ChEBI Name(S)-imazaquin
Stars
ASCII Name(S)-imazaquin
DefinitionA 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid that has S-configuration.
Last Modified2 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC17H17N3O3
Net Charge0
Average Mass311.341
Monoisotopic Mass311.12699
SMILESCC(C)[C@]1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O
InChIInChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m0/s1
InChIKeyCABMTIJINOIHOD-KRWDZBQOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-imazaquin (CHEBI:147360) is a 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CHEBI:147361)
(S)-imazaquin (CHEBI:147360) is conjugate acid of (S)-imazaquin(1−) (CHEBI:147374)
(S)-imazaquin (CHEBI:147360) is enantiomer of (R)-imazaquin (CHEBI:147359)
Incoming Relation(s)
imazaquin (CHEBI:5869) has part (S)-imazaquin (CHEBI:147360)
(S)-imazaquin(1−) (CHEBI:147374) is conjugate base of (S)-imazaquin (CHEBI:147360)
(R)-imazaquin (CHEBI:147359) is enantiomer of (S)-imazaquin (CHEBI:147360)
IUPAC Name 
2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid
Synonym  Source
S-imazaquinChEBI
Registry NumbersSources
CAS:355841-30-4ChEBI