EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:50262 - 2-(3-methylthiopropyl)malic acid

ChEBI IDCHEBI:50262
ChEBI Name2-(3-methylthiopropyl)malic acid
Stars
DefinitionThe 2-(3-methylthiopropyl) derivative of malic acid.
Last Modified14 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H14O5S
Net Charge0
Average Mass222.262
Monoisotopic Mass222.05619
SMILESCSCCCC(O)(CC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyWLOKFRZXOVZGIN-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)
2-(3-methylthiopropyl)malic acid (CHEBI:50262) is a 2-(ω-methylthio)alkylmalic acid (CHEBI:134530)
2-(3-methylthiopropyl)malic acid (CHEBI:50262) is conjugate acid of 2-(3-methylthiopropyl)malate(2−) (CHEBI:58817)
Incoming Relation(s)
2-(3-methylthiopropyl)malate(2−) (CHEBI:58817) is conjugate base of 2-(3-methylthiopropyl)malic acid (CHEBI:50262)
IUPAC Name 
2-hydroxy-2-[3-(methylsulfanyl)propyl]butanedioic acid
Synonyms  Source
MTPMChEBI
2-(3'-Methylthio)propylmalateKEGG COMPOUND
Manual XrefsDatabases
C17214KEGG COMPOUND
C00007646KNApSAcK