MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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S-octyl ethanethioate
Properties
Image
Occurences in reactions
MNX_ID
MNXM160939
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
10
H
20
OS
charge
0
mass
188.12349
reference
chebi:87547
InChIKey
NQMNVUDCUZKJRL-UHFFFAOYSA-N
InChI
InChI=1S/C10H20OS/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
SMILES
CCCCCCCCSC(C)=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:87547
chebi:87547
S-octyl ethanethioate
1-acetylthiooctane
S-octyl thioacetate
thioacetic acid S-octyl ester