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CHEBI:133501 - 3-(3-methylthio)propylmalate(2−)

Default Structure
ChEBI IDCHEBI:133501
ChEBI Name3-(3-methylthio)propylmalate(2−)
Stars
ASCII Name3-(3-methylthio)propylmalate(2-)
DefinitionA 3-(ω-methylthio)alkylmalate(2−) obtained by deprotonation of both carboxy groups of 3-(3-methylthio)propylmalic acid; major species at pH 7.3.
Last Modified16 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H12O5S
Net Charge-2
Average Mass220.246
Monoisotopic Mass220.04164
SMILESCSCCCC(C(=O)[O-])C(O)C(=O)[O-]
InChIInChI=1S/C8H14O5S/c1-14-4-2-3-5(7(10)11)6(9)8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/p-2
InChIKeySQXVIIOPMYSNCP-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
3-(3-methylthio)propylmalate(2−) (CHEBI:133501) is a 3-(ω-methylthio)alkylmalate(2−) (CHEBI:133496)
3-(3-methylthio)propylmalate(2−) (CHEBI:133501) is conjugate base of 3-(3-methylthio)propylmalic acid (CHEBI:134537)
Incoming Relation(s)
3-(3-methylthio)propylmalic acid (CHEBI:134537) is conjugate acid of 3-(3-methylthio)propylmalate(2−) (CHEBI:133501)
IUPAC Name 
2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioate
UniProt Name  Source
3-(3-methylsulfanyl)propylmalateUniProt
Manual XrefsDatabases
CPDQT-36MetaCyc