Feedback

3-carboxy-9-(methylsulfanyl)-2-oxononanoate

PropertiesImageOccurences in reactions
MNX_IDMNXM164248Image of MNXM164248
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC11H16O5S
charge-2
mass260.07294
referencemetacycM:CPD-19488
InChIKeyPBYOKOGRHHZTHQ-UHFFFAOYSA-L
InChIInChI=1S/C11H18O5S/c1-17-7-5-3-2-4-6-8(10(13)14)9(12)11(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16)/p-2
SMILESCSCCCCCCC(C(=O)[O-])C(=O)C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-19488
metacycM:CPD-19488
seed.compound:cpd34878
seedM:cpd34878
3-carboxy-9-(methylsulfanyl)-2-oxononanoate
3-carboxy-9-(methylthio)-2-oxononanoate
seedM:M_cpd34878 secondary/obsolete/fantasy identifier