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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > cyclic fatty acid > heterocyclic fatty acid > 2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid

Preferred term

2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C13H20O6S

inchi

  • InChI=1S/C13H20O6S/c1-8-2-3-9(14)6-10(4-5-12(16)19-8)20-7-11(15)13(17)18/h8,10-11,15H,2-7H2,1H3,(H,17,18)

inchikey

  • OGTDCWCKOKLYSK-UHFFFAOYSA-N

mass

  • 304.360

monoisotopicmass

  • 304.09806

smiles

  • S(C1CCC(OC(CCC(=O)C1)C)=O)CC(O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulanylpropanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181596

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