3-carboxy-7-(methylsulfanyl)-2-oxoheptanoate

Properties Image MNX_ID MNXM164246 reference metacycM:CPD-19490 formula C9H12O5S global charge -2 mol weight 232.257 InChIKey XXJZWLKRFPCKLB-UHFFFAOYSA-L InChI InChI=1S/C9H14O5S/c1-15-5-3-2-4-6(8(11)12)7(10)9(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)/p-2 SMILES CSCCCCC(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H14O5S/c1-15-5-3-2-4-6(8(11)12)7(10)9(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)/t6? SMILES (mnx) [CH3:1][S:15][CH2:5][CH2:3][CH2:2][CH2:4][CH:6]([C:7]([C:9]([OH:13])=[O:14])=[O:10])[C:8](=[O:11])[OH:12]

Parent-child relations graph

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