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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-Oxo-7-methylthioheptanoic acid
ChEBI ID CHEBI:80968
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C8H14O3S
Net Charge 0
Average Mass 190.26000
Monoisotopic Mass 190.06637
InChI InChI=1S/C8H14O3S/c1-12-6-4-2-3-5-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
InChIKey TWAIOPPFLZEXCO-UHFFFAOYSA-N
SMILES CSCCCCCC(=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-Oxo-7-methylthioheptanoic acid (CHEBI:80968) is a oxo carboxylic acid (CHEBI:25754)
Synonym Source
7-(Methylthio)-2-oxo-heptanoic acid KEGG COMPOUND
Manual Xrefs Databases
C00007645 KNApSAcK
C17220 KEGG COMPOUND
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