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CHEBI:50261 - 2-(2-methylthioethyl)malic acid

Default Structure
ChEBI IDCHEBI:50261
ChEBI Name2-(2-methylthioethyl)malic acid
Stars
DefinitionThe 2-(2-methylthioethyl) derivative of malic acid.
Last Modified14 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H12O5S
Net Charge0
Average Mass208.235
Monoisotopic Mass208.04054
SMILESCSCCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyFZNWJRXTACKOPU-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-(2-methylthioethyl)malic acid (CHEBI:50261) is a 2-(ω-methylthio)alkylmalic acid (CHEBI:134530)
2-(2-methylthioethyl)malic acid (CHEBI:50261) is conjugate acid of 2-(2-methylthioethyl)malate(2−) (CHEBI:58816)
Incoming Relation(s)
2-(2-methylthioethyl)malate(2−) (CHEBI:58816) is conjugate base of 2-(2-methylthioethyl)malic acid (CHEBI:50261)
IUPAC Name 
2-hydroxy-2-[2-(methylsulfanyl)ethyl]butanedioic acid
Synonyms  Source
2-(2'-Methylthio)ethylmalateKEGG COMPOUND
MTEMChEBI
Manual XrefsDatabases
C00007647KNApSAcK
C17210KEGG COMPOUND
Registry NumbersSources
Beilstein:6720342Beilstein