2-sulfomethyl-L-thioproline

Properties Image MNX_ID MNXM5452 reference chebi:73964 formula C5H9NO5S2 global charge 0 mol weight 227.263 InChIKey HYGZRLVEUKTESI-WUCPZUCCSA-N InChI InChI=1S/C5H9NO5S2/c7-5(8)3-1-12-4(6-3)2-13(9,10)11/h3-4,6H,1-2H2,(H,7,8)(H,9,10,11)/t3-,4?/m0/s1 SMILES O=C(O)[C@@H]1CSC(CS(=O)(=O)O)N1 MNX internals InChI (mnx) InChI=1/C5H9NO5S2/c7-5(8)3-1-12-4(6-3)2-13(9,10)11/h3-4,6H,1-2H2,(H,7,8)(H,9,10,11)/t3-,4?/m0/s1 SMILES (mnx) [CH2:1]1[C@@H:3]([C:5](=[O:7])[OH:8])[NH:6][CH:4]([CH2:2][S:13]([OH:9])(=[O:10])=[O:11])[S:12]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3