EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133497 - 3-(2-methylthioethyl)malate(2−)

ChEBI IDCHEBI:133497
ChEBI Name3-(2-methylthioethyl)malate(2−)
Stars
ASCII Name3-(2-methylthioethyl)malate(2-)
DefinitionA 3-(ω-methylthio)alkylmalate(2−) obtained by deprotonation of both carboxy groups of 3-(2-methylthioethyl)malic acid; major species at pH 7.3.
Last Modified16 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H10O5S
Net Charge-2
Average Mass206.219
Monoisotopic Mass206.02599
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)/p-2
InChIKeyUZRMQJKPFRLIDG-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
3-(2-methylthioethyl)malate(2−) (CHEBI:133497) is a 3-(ω-methylthio)alkylmalate(2−) (CHEBI:133496)
3-(2-methylthioethyl)malate(2−) (CHEBI:133497) is conjugate base of 3-(2-methylthioethyl)malic acid (CHEBI:134533)
Incoming Relation(s)
3-(2-methylthioethyl)malic acid (CHEBI:134533) is conjugate acid of 3-(2-methylthioethyl)malate(2−) (CHEBI:133497)
IUPAC Name 
3-carboxylato-3,4-dideoxy-5-S-methyl-5-thiopentonate
UniProt Name  Source
3-(2-methylsulfanyl)ethylmalateUniProt
Manual XrefsDatabases
3-2-METHYLTHIOETHYLMALIC-ACIDMetaCyc