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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(3-methylthiopropyl)malic acid
ChEBI ID CHEBI:50262
Definition The 2-(3-methylthiopropyl) derivative of malic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H14O5S
Net Charge 0
Average Mass 222.25976
Monoisotopic Mass 222.05619
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)
InChIKey WLOKFRZXOVZGIN-UHFFFAOYSA-N
SMILES CSCCCC(O)(CC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
2-(3'-Methylthio)propylmalate KEGG COMPOUND
MTPM ChEBI
Manual Xrefs Databases
C00007646 KNApSAcK
C17214 KEGG COMPOUND
View more database links
Last Modified
14 February 2017