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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1h-pyrimidin-2-yl]thio]hexanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1h-pyrimidin-2-yl]thio]hexanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1h-pyrimidin-2-yl]thio]hexanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1h-pyrimidin-2-yl]thio]hexanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > medium-chain fatty acid > 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1h-pyrimidin-2-yl]thio]hexanoic acid

Preferred term

2-[[6-methyl-4-oxo-5-(phenylmethyl)-1h-pyrimidin-2-yl]thio]hexanoic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H22N2O3S

inchi

  • InChI=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)

inchikey

  • CQKPUBAOCCCNJW-UHFFFAOYSA-N

mass

  • 346.446

monoisotopicmass

  • 346.13511

smiles

  • CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)CC2=CC=CC=C2

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:120059

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