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CHEBI:120059 - 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid

ChEBI IDCHEBI:120059
ChEBI Name2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid
Stars
DownloadsMolfile
FormulaC18H22N2O3S
Net Charge0
Average Mass346.452
Monoisotopic Mass346.13511
SMILESCCCCC(Sc1nc(C)c(Cc2ccccc2)c(=O)n1)C(=O)O
InChIInChI=1S/C18H22N2O3S/c1-3-4-10-15(17(22)23)24-18-19-12(2)14(16(21)20-18)11-13-8-6-5-7-9-13/h5-9,15H,3-4,10-11H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyCQKPUBAOCCCNJW-UHFFFAOYSA-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)
2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid (CHEBI:120059) is a medium-chain fatty acid (CHEBI:59554)
Manual XrefsDatabases
LSM-31502LINCS