3-carboxy-10-(methylsulfanyl)-2-oxodecanoate

Properties Image MNX_ID MNXM164244 reference metacycM:CPD-19487 formula C12H18O5S global charge -2 mol weight 274.338 InChIKey UKHZBTWECWUVPH-UHFFFAOYSA-L InChI InChI=1S/C12H20O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9H,2-8H2,1H3,(H,14,15)(H,16,17)/p-2 SMILES CSCCCCCCCC(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9H,2-8H2,1H3,(H,14,15)(H,16,17)/t9? SMILES (mnx) [CH3:1][S:18][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH:9]([C:10]([C:12]([OH:16])=[O:17])=[O:13])[C:11](=[O:14])[OH:15]

Parent-child relations graph

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