3-(7'-Methylthio)heptylmalic acid

Properties Image MNX_ID MNXM5508 reference chebi:80976 formula C12H22O5S global charge 0 mol weight 278.37 InChIKey SXLJFGXGVBWOOB-UHFFFAOYSA-N InChI InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17) SMILES CSCCCCCCCC(C(=O)O)C(O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H22O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)/t9?,10? SMILES (mnx) [CH3:1][S:18][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH:9]([CH:10]([C:12](=[O:16])[OH:17])[OH:13])[C:11](=[O:14])[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0