CHEBI:80966 - 2-(4'-Methylthio)butylmalic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4'-Methylthio)butylmalic acid
ChEBI ID CHEBI:80966
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H16O5S
Net Charge 0
Average Mass 236.28500
Monoisotopic Mass 236.07184
InChI InChI=1S/C9H16O5S/c1-15-5-3-2-4-9(14,8(12)13)6-7(10)11/h14H,2-6H2,1H3,(H,10,11)(H,12,13)
InChIKey MHYITDUVXNMMNZ-UHFFFAOYSA-N
SMILES CSCCCCC(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-(4'-Methylthio)butylmalic acid (CHEBI:80966) is a dicarboxylic acid (CHEBI:35692)
Synonym Source
2-(4'-Methylthio)butylmalate KEGG COMPOUND
Manual Xrefs Databases
C00007644 KNApSAcK
C17218 KEGG COMPOUND
View more database links