CHEBI:80972 - 2-(6'-Methylthio)hexylmalic acid

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ChEBI Name 2-(6'-Methylthio)hexylmalic acid
ChEBI ID CHEBI:80972
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H20O5S
Net Charge 0
Average Mass 264.33900
Monoisotopic Mass 264.10314
InChI InChI=1S/C11H20O5S/c1-17-7-5-3-2-4-6-11(16,10(14)15)8-9(12)13/h16H,2-8H2,1H3,(H,12,13)(H,14,15)
InChIKey FEKMFSGDBKSRNR-UHFFFAOYSA-N
SMILES CSCCCCCCC(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 )
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ChEBI Ontology
Outgoing 2-(6'-Methylthio)hexylmalic acid (CHEBI:80972) is a dicarboxylic acid (CHEBI:35692)
Synonym Source
2-(6'-Methylthio)hexylmalate KEGG COMPOUND
Manual Xrefs Databases
C00007653 KNApSAcK
C17226 KEGG COMPOUND
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