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ChEBI
> Main
CHEBI:80965 - 2-Oxo-6-methylthiohexanoic acid
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ChEBI Ontology
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ChEBI Name
2-Oxo-6-methylthiohexanoic acid
ChEBI ID
CHEBI:80965
Stars
This entity has been manually annotated by a third party.
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Formula
C7H12O3S
Net Charge
0
Average Mass
176.23300
Monoisotopic Mass
176.05072
InChI
InChI=1S/C7H12O3S/c1-11-5-3-2-4-6(8)7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
GRUGZHAOXOPASC-UHFFFAOYSA-N
SMILES
CSCCCCC(=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-Oxo-6-methylthiohexanoic acid (
CHEBI:80965
)
is a
oxo carboxylic acid (
CHEBI:25754
)
Synonym
Source
6-(Methylthio)-2-oxo-hexanoic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00007648
KNApSAcK
C17216
KEGG COMPOUND
View more database links