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CHEBI:58817 - 2-(3-methylthiopropyl)malate(2−)

ChEBI IDCHEBI:58817
ChEBI Name2-(3-methylthiopropyl)malate(2−)
Stars
ASCII Name2-(3-methylthiopropyl)malate(2-)
DefinitionDicarboxylate anion of 2-(3-methylthiopropyl)malic acid.
Last Modified16 May 2017
DownloadsMolfile
FormulaC8H12O5S
Net Charge-2
Average Mass220.246
Monoisotopic Mass220.04164
SMILESCSCCCC(O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H14O5S/c1-14-4-2-3-8(13,7(11)12)5-6(9)10/h13H,2-5H2,1H3,(H,9,10)(H,11,12)/p-2
InChIKeyWLOKFRZXOVZGIN-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
2-(3-methylthiopropyl)malate(2−) (CHEBI:58817) is a 2-(ω-methylthio)alkylmalate(2−) (CHEBI:133494)
2-(3-methylthiopropyl)malate(2−) (CHEBI:58817) is conjugate base of 2-(3-methylthiopropyl)malic acid (CHEBI:50262)
Incoming Relation(s)
2-(3-methylthiopropyl)malic acid (CHEBI:50262) is conjugate acid of 2-(3-methylthiopropyl)malate(2−) (CHEBI:58817)
IUPAC Name 
2-hydroxy-2-[3-(methylsulfanyl)propyl]butanedioate
Synonym  Source
2-hydroxy-2-[3-(methylsulfanyl)propyl]succinateChEBI
UniProt Name  Source
2-(3-methylsulfanyl)propylmalateUniProt