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CHEBI:80976 - 3-(7'-Methylthio)heptylmalic acid

ChEBI IDCHEBI:80976
ChEBI Name3-(7'-Methylthio)heptylmalic acid
Stars
DownloadsMolfile
FormulaC12H22O5S
Net Charge0
Average Mass278.370
Monoisotopic Mass278.11879
SMILESCSCCCCCCCC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeySXLJFGXGVBWOOB-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)
3-(7'-Methylthio)heptylmalic acid (CHEBI:80976) is a dicarboxylic acid (CHEBI:35692)
Synonym  Source
3-(7'-Methylthio)heptylmalateKEGG COMPOUND
Manual XrefsDatabases
C17231KEGG COMPOUND