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CHEBI:134533 - 3-(2-methylthioethyl)malic acid

ChEBI IDCHEBI:134533
ChEBI Name3-(2-methylthioethyl)malic acid
Stars
DefinitionA 3-(ω-methylthio)alkylmalic acid in which the 3-alkyl group is specified as 2-methylthioethyl.
Last Modified14 April 2020
SubmitterSteve
DownloadsMolfile
FormulaC7H12O5S
Net Charge0
Average Mass208.235
Monoisotopic Mass208.04054
SMILESCSCCC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyUZRMQJKPFRLIDG-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)
3-(2-methylthioethyl)malic acid (CHEBI:134533) is a 3-(ω-methylthio)alkylmalic acid (CHEBI:134532)
3-(2-methylthioethyl)malic acid (CHEBI:134533) is conjugate acid of 3-(2-methylthioethyl)malate(2−) (CHEBI:133497)
Incoming Relation(s)
3-(2-methylthioethyl)malate(2−) (CHEBI:133497) is conjugate base of 3-(2-methylthioethyl)malic acid (CHEBI:134533)
IUPAC Name 
3-carboxy-3,4-dideoxy-5-S-methyl-5-thiopentonic acid
Manual XrefsDatabases
3-2-METHYLTHIOETHYLMALIC-ACIDMetaCyc
Registry NumbersSources
Reaxys:22309541Reaxys