CHEBI:80968 - 2-Oxo-7-methylthioheptanoic acid

ChEBI IDCHEBI:80968
ChEBI Name2-Oxo-7-methylthioheptanoic acid
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DownloadsMolfile
FormulaC8H14O3S
Net Charge0
Average Mass190.264
Monoisotopic Mass190.06637
SMILESCSCCCCCC(=O)C(=O)O
InChIInChI=1S/C8H14O3S/c1-12-6-4-2-3-5-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyTWAIOPPFLZEXCO-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-Oxo-7-methylthioheptanoic acid (CHEBI:80968) is a oxo carboxylic acid (CHEBI:25754)
Synonym  Source
7-(Methylthio)-2-oxo-heptanoic acidKEGG COMPOUND
Manual XrefsDatabases
C00007645KNApSAcK
C17220KEGG COMPOUND