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CHEBI:133500 - 2-(2-methylthio)propylmaleate(2−)

ChEBI IDCHEBI:133500
ChEBI Name2-(2-methylthio)propylmaleate(2−)
Stars
ASCII Name2-(2-methylthio)propylmaleate(2-)
DefinitionA 2-(ω-methylthio)alkylmaleate(2−) obtained by deprotonation of both carboxy groups of 2-(3-methylthiopropyl)maleic acid; major species at pH 7.3.
Last Modified16 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H10O4S
Net Charge-2
Average Mass202.231
Monoisotopic Mass202.03108
SMILESCSCCC/C(=C/C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H12O4S/c1-13-4-2-3-6(8(11)12)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)(H,11,12)/p-2/b6-5-
InChIKeyRQAOZCCKOFEXBK-WAYWQWQTSA-L
ChEBI Ontology
Outgoing Relation(s)
2-(2-methylthio)propylmaleate(2−) (CHEBI:133500) is a 2-(ω-methylthio)alkylmaleate(2−) (CHEBI:133498)
2-(2-methylthio)propylmaleate(2−) (CHEBI:133500) is conjugate base of 2-(2-methylthiopropyl)maleic acid (CHEBI:134536)
Incoming Relation(s)
2-(2-methylthiopropyl)maleic acid (CHEBI:134536) is conjugate acid of 2-(2-methylthio)propylmaleate(2−) (CHEBI:133500)
IUPAC Name 
(2Z)-2-[3-(methylsulfanyl)propyl]but-2-enedioate
UniProt Name  Source
2-(2-methylsulfanyl)propylmaleateUniProt
Manual XrefsDatabases
CPD-19477MetaCyc