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CHEBI:181596 - 2-Hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid

ChEBI IDCHEBI:181596
ChEBI Name2-Hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O6S
Net Charge0
Average Mass304.364
Monoisotopic Mass304.09806
SMILESCC1CCC(=O)CC(SCC(O)C(=O)O)CCC(=O)O1
InChIInChI=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)
InChIKeyOGTDCWCKOKLYSK-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-Hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid (CHEBI:181596) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulanylpropanoic acid
Manual XrefsDatabases
29814041ChemSpider