S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-3-thiolactate

Properties Image MNX_ID MNXM169049 reference biggM:CE7218 formula C9H10N2O5S global charge -2 mol weight 258.255 InChIKey SRMWPLGMMNSTOE-UHFFFAOYSA-L InChI InChI=1S/C9H12N2O5S/c12-6(9(15)16)3-17-7(1-8(13)14)5-2-10-4-11-5/h2,4,6-7,12H,1,3H2,(H,10,11)(H,13,14)(H,15,16)/p-2 SMILES O=C([O-])CC(SCC(O)C(=O)[O-])C1=CN=CN1 MNX internals InChI (mnx) InChI=1/C9H12N2O5S/c12-6(9(15)16)3-17-7(1-8(13)14)5-2-10-4-11-5/h2,4,6-7,12H,1,3H2,(H,10,11)(H,13,14)(H,15,16)/t6?,7? SMILES (mnx) [CH2:1]([CH:7]([C:5]1=[CH:2][N:10]=[CH:4][NH:11]1)[S:17][CH2:3][CH:6]([C:9](=[O:15])[OH:16])[OH:12])[C:8](=[O:13])[OH:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1