3'-iodothyronamine

Properties Image MNX_ID MNXM8083 reference chebi:233339 formula C14H15INO2 global charge 1 mol weight 356.183 InChIKey HCYGDNGLWSZCCA-UHFFFAOYSA-O InChI InChI=1S/C14H14INO2/c15-13-9-12(5-6-14(13)17)18-11-3-1-10(2-4-11)7-8-16/h1-6,9,17H,7-8,16H2/p+1 SMILES [NH3+]CCC1=CC=C(OC2=CC=C(O)C(I)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C14H14INO2/c15-13-9-12(5-6-14(13)17)18-11-3-1-10(2-4-11)7-8-16/h1-6,9,17H,7-8,16H2 SMILES (mnx) [CH:1]1=[CH:3][C:11]([O:18][C:12]2=[CH:9][C:13]([I:15])=[C:14]([OH:17])[CH:6]=[CH:5]2)=[CH:4][CH:2]=[C:10]1[CH2:7][CH2:8][NH2:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2