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

ChEBI IDCHEBI:80975
ChEBI Name2-(7'-Methylthio)heptylmalic acid
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DownloadsMolfile
FormulaC12H22O5S
Net Charge0
Average Mass278.370
Monoisotopic Mass278.11879
SMILESCSCCCCCCCC(O)(CC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyPWAKELUEEHWVFQ-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)
2-(7'-Methylthio)heptylmalic acid (CHEBI:80975) is a dicarboxylic acid (CHEBI:35692)
Synonym  Source
2-(7'-Methylthio)heptylmalateKEGG COMPOUND
Manual XrefsDatabases
C17230KEGG COMPOUND
C00007650KNApSAcK