CHEBI:80975 - 2-(7'-Methylthio)heptylmalic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(7'-Methylthio)heptylmalic acid
ChEBI ID CHEBI:80975
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H22O5S
Net Charge 0
Average Mass 278.36500
Monoisotopic Mass 278.11879
InChI InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)
InChIKey PWAKELUEEHWVFQ-UHFFFAOYSA-N
SMILES CSCCCCCCCC(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-(7'-Methylthio)heptylmalic acid (CHEBI:80975) is a dicarboxylic acid (CHEBI:35692)
Synonym Source
2-(7'-Methylthio)heptylmalate KEGG COMPOUND
Manual Xrefs Databases
C00007650 KNApSAcK
C17230 KEGG COMPOUND
View more database links