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CHEBI:133499 - 2-(2-methylthio)ethylmaleate(2−)

ChEBI IDCHEBI:133499
ChEBI Name2-(2-methylthio)ethylmaleate(2−)
Stars
ASCII Name2-(2-methylthio)ethylmaleate(2-)
DefinitionA 2-(ω-methylthio)alkylmaleate(2−) obtained by deprotonation of both carboxy groups of 2-(2-methylthio)ethylmaleic acid; major species at pH 7.3.
Last Modified16 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H8O4S
Net Charge-2
Average Mass188.204
Monoisotopic Mass188.01543
SMILESCSCC/C(=C/C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C7H10O4S/c1-12-3-2-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2/b5-4-
InChIKeyFCGNCJNTFRMBQY-PLNGDYQASA-L
ChEBI Ontology
Outgoing Relation(s)
2-(2-methylthio)ethylmaleate(2−) (CHEBI:133499) is a 2-(ω-methylthio)alkylmaleate(2−) (CHEBI:133498)
2-(2-methylthio)ethylmaleate(2−) (CHEBI:133499) is conjugate base of 2-(2-methylthio)ethylmaleic acid (CHEBI:134535)
Incoming Relation(s)
2-(2-methylthio)ethylmaleic acid (CHEBI:134535) is conjugate acid of 2-(2-methylthio)ethylmaleate(2−) (CHEBI:133499)
IUPAC Name 
(2Z)-2-[2-(methylsulfanyl)ethyl]but-2-enedioate
UniProt Name  Source
2-(2-methylsulfanyl)ethylmaleateUniProt
Manual XrefsDatabases
CPD-19476MetaCyc