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CHEBI:174766 - Diisopentyl thiomalate

ChEBI IDCHEBI:174766
ChEBI NameDiisopentyl thiomalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O4S
Net Charge0
Average Mass290.425
Monoisotopic Mass290.15518
SMILESCC(C)CCOC(=O)CC(S)C(=O)OCCC(C)C
InChIInChI=1S/C14H26O4S/c1-10(2)5-7-17-13(15)9-12(19)14(16)18-8-6-11(3)4/h10-12,19H,5-9H2,1-4H3
InChIKeyHHNLQBYPOOATIP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Diisopentyl thiomalate (CHEBI:174766) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
bis(3-methylbutyl) 2-sulanylbutanedioate
Manual XrefsDatabases
95905ChemSpider
HMDB0032223HMDB
LMFA07010835LIPID MAPS
Registry NumbersSources
CAS:68084-03-7ChemIDplus