Pantoyltaurine

Properties Image MNX_ID MNXM168834 reference sabiorkM:22845 formula C8H17NO6S global charge 0 mol weight 255.292 InChIKey IZRUXXTXKZAGQQ-UHFFFAOYSA-N InChI InChI=1S/C8H17NO6S/c1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15/h6,10-11H,3-5H2,1-2H3,(H,9,12)(H,13,14,15) SMILES CC(C)(CO)C(O)C(O)=NCCS(=O)(=O)O MNX internals InChI (mnx) InChI=1/C8H17NO6S/c1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15/h6,10-11H,3-5H2,1-2H3,(H,9,12)(H,13,14,15)/t6? SMILES (mnx) [CH3:1][C:8]([CH3:2])([CH2:5][OH:10])[CH:6]([C:7](=[N:9][CH2:3][CH2:4][S:16]([OH:13])(=[O:14])=[O:15])[OH:12])[OH:11]

Parent-child relations graph

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