sulfoethylcysteine

Properties Image MNX_ID MNXM5937 reference metacycM:CPD-467 formula C5H10NO5S2 global charge -1 mol weight 228.271 InChIKey BVNVKGQFBDNXFU-BYPYZUCNSA-M InChI InChI=1S/C5H11NO5S2/c6-4(5(7)8)3-12-1-2-13(9,10)11/h4H,1-3,6H2,(H,7,8)(H,9,10,11)/p-1/t4-/m0/s1 SMILES [NH3+][C@@H](CSCCS(=O)(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C5H11NO5S2/c6-4(5(7)8)3-12-1-2-13(9,10)11/h4H,1-3,6H2,(H,7,8)(H,9,10,11)/t4-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][S:13]([OH:9])(=[O:10])=[O:11])[S:12][CH2:3][C@@H:4]([C:5](=[O:7])[OH:8])[NH2:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2