CHEBI:58817 - 2-(3-methylthiopropyl)malate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(3-methylthiopropyl)malate(2−)
ChEBI ID CHEBI:58817
ChEBI ASCII Name 2-(3-methylthiopropyl)malate(2-)
Definition Dicarboxylate anion of 2-(3-methylthiopropyl)malic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H12O5S
Net Charge -2
Average Mass 220.24300
Monoisotopic Mass 220.04164
InChI InChI=1S/C8H14O5S/c1-14-4-2-3-8(13,7(11)12)5-6(9)10/h13H,2-5H2,1H3,(H,9,10)(H,11,12)/p-2
InChIKey WLOKFRZXOVZGIN-UHFFFAOYSA-L
SMILES CSCCCC(O)(CC([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing 2-(3-methylthiopropyl)malate(2−) (CHEBI:58817) is a 2-(ω-methylthio)alkylmalate(2−) (CHEBI:133494)
2-(3-methylthiopropyl)malate(2−) (CHEBI:58817) is conjugate base of 2-(3-methylthiopropyl)malic acid (CHEBI:50262)
Incoming 2-(3-methylthiopropyl)malic acid (CHEBI:50262) is conjugate acid of 2-(3-methylthiopropyl)malate(2−) (CHEBI:58817)
IUPAC Name
2-hydroxy-2-[3-(methylsulfanyl)propyl]butanedioate
Synonyms Sources
2-(3-methylsulfanyl)propylmalate UniProt
2-hydroxy-2-[3-(methylsulfanyl)propyl]succinate ChEBI
Last Modified
16 May 2017