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CHEBI:133189 - (S)-imazapyr

ChEBI IDCHEBI:133189
ChEBI Name(S)-imazapyr
Stars
ASCII Name(S)-imazapyr
DefinitionA 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid that has S configuration.
Last Modified10 September 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H15N3O3
Net Charge0
Average Mass261.281
Monoisotopic Mass261.11134
SMILESCC(C)[C@]1(C)NC(c2ncccc2C(=O)O)=NC1=O
InChIInChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)/t13-/m0/s1
InChIKeyCLQMBPJKHLGMQK-ZDUSSCGKSA-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)-imazapyr (CHEBI:133189) is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CHEBI:133187)
(S)-imazapyr (CHEBI:133189) is conjugate acid of (S)-imazapyr(1−) (CHEBI:133192)
(S)-imazapyr (CHEBI:133189) is enantiomer of (R)-imazapyr (CHEBI:133188)
Incoming Relation(s)
imazapyr (CHEBI:82021) has part (S)-imazapyr (CHEBI:133189)
(S)-imazapyr(1−) (CHEBI:133192) is conjugate base of (S)-imazapyr (CHEBI:133189)
(R)-imazapyr (CHEBI:133188) is enantiomer of (S)-imazapyr (CHEBI:133189)
IUPAC Name 
2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]nicotinic acid
Synonyms  Source
2-[(S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinic acidChEBI
2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acidChEBI
Registry NumbersSources
CAS:355841-28-0ChemIDplus
Citations