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CHEBI:228550 - QQH

ChEBI IDCHEBI:228550
ChEBI NameQQH
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O3S
Net Charge0
Average Mass358.463
Monoisotopic Mass358.13511
SMILESCc1cccc(Cc2cc(=O)n3c(c2N(C)C)SC[C@H]3C(=O)O)c1C
InChIInChI=1S/C19H22N2O3S/c1-11-6-5-7-13(12(11)2)8-14-9-16(22)21-15(19(23)24)10-25-18(21)17(14)20(3)4/h5-7,9,15H,8,10H2,1-4H3,(H,23,24)/t15-/m0/s1
InChIKeyROYOKFGWFIQXTM-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
QQH (CHEBI:228550) has functional parent α-amino acid (CHEBI:33704)
QQH (CHEBI:228550) is a organonitrogen compound (CHEBI:35352)
QQH (CHEBI:228550) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-8-(dimethylamino)-7-[(2,3-dimethylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid