3-Sulfomuconate

Properties Image MNX_ID MNXM5530 reference keggC:C06675 formula C6H6O7S global charge 0 mol weight 222.174 InChIKey WEJLTUKIYDTEKT-BXTBVDPRSA-N InChI InChI=1S/C6H6O7S/c7-5(8)2-1-4(3-6(9)10)14(11,12)13/h1-3H,(H,7,8)(H,9,10)(H,11,12,13)/b2-1-,4-3+ SMILES O=C(O)/C=C\C(=C/C(=O)O)S(=O)(=O)O MNX internals InChI (mnx) InChI=1/C6H6O7S/c7-5(8)2-1-4(3-6(9)10)14(11,12)13/h1-3H,(H,7,8)(H,9,10)(H,11,12,13)/b2-1-,4-3+ SMILES (mnx) [CH:1](=[CH:2]\[C:5](=[O:7])[OH:8])\[C:4](=[CH:3]/[C:6](=[O:9])[OH:10])[S:14]([OH:11])(=[O:12])=[O:13]

Parent-child relations graph

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