3,3'-diiodothyronamine

Properties Image MNX_ID MNXM6770 reference chebi:233341 formula C14H14I2NO2 global charge 1 mol weight 482.079 InChIKey RKRRCKUQQDVLGU-UHFFFAOYSA-O InChI InChI=1S/C14H13I2NO2/c15-11-8-10(2-3-13(11)18)19-14-4-1-9(5-6-17)7-12(14)16/h1-4,7-8,18H,5-6,17H2/p+1 SMILES [NH3+]CCC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C14H13I2NO2/c15-11-8-10(2-3-13(11)18)19-14-4-1-9(5-6-17)7-12(14)16/h1-4,7-8,18H,5-6,17H2 SMILES (mnx) [CH:1]1=[CH:4][C:14]([O:19][C:10]2=[CH:8][C:11]([I:15])=[C:13]([OH:18])[CH:3]=[CH:2]2)=[C:12]([I:16])[CH:7]=[C:9]1[CH2:5][CH2:6][NH2:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 4