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

Properties Image MNX_ID MNXM164248 reference metacycM:CPD-19488 formula C11H16O5S global charge -2 mol weight 260.311 InChIKey PBYOKOGRHHZTHQ-UHFFFAOYSA-L InChI InChI=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 SMILES CSCCCCCCC(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/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)/t8? SMILES (mnx) [CH3:1][S:17][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH:8]([C:9]([C:11]([OH:15])=[O:16])=[O:12])[C:10](=[O:13])[OH:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0