Thiomethyl-sulphoxide-acetaminophen-glucuronide

Properties Image MNX_ID MNXM744955 reference biggM:tsacmgluc formula C15H19NO9S global charge 0 mol weight 389.382 InChIKey RCMQDOZTCCNSAY-UHFFFAOYSA-N InChI InChI=1S/C15H19NO9S/c1-6(17)16-7-3-4-8(9(5-7)26(2)23)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22) SMILES CC(=O)NC1=CC(S(C)=O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C=C1 MNX internals InChI (mnx) InChI=1/C15H19NO9S/c1-6(17)16-7-3-4-8(9(5-7)26(2)23)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10?,11?,12?,13?,15?,26? SMILES (mnx) [CH3:1][C:6](=[N:16][C:7]1=[CH:5][C:9]([S:26]([CH3:2])=[O:23])=[C:8]([O:24][CH:15]2[CH:12]([OH:20])[CH:10]([OH:18])[CH:11]([OH:19])[CH:13]([C:14](=[O:21])[OH:22])[O:25]2)[CH:4]=[CH:3]1)[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 4