CHEBI:80971 - 2-Oxo-8-methylthiooctanoic acid

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ChEBI Name 2-Oxo-8-methylthiooctanoic acid
ChEBI ID CHEBI:80971
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H16O3S
Net Charge 0
Average Mass 204.28700
Monoisotopic Mass 204.08202
InChI InChI=1S/C9H16O3S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h2-7H2,1H3,(H,11,12)
InChIKey QDZNKMGEHAHOTA-UHFFFAOYSA-N
SMILES CSCCCCCCC(=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-8-methylthiooctanoic acid (CHEBI:80971) is a oxo carboxylic acid (CHEBI:25754)
Synonym Source
8-Methylthio-2-octanoic acid KEGG COMPOUND
Manual Xrefs Databases
C00007643 KNApSAcK
C17224 KEGG COMPOUND
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