CAS: 29919-72-0 - Triiodothyronine glucuronide

Formula:C₂₁H₂₀I₃NO₁₀

InChI:InChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1

InChI key:InChIKey=YYFGGGCINNGOLE-ZDXOGFQLSA-N

SMILES:O=C(O)C1OC(OC2=CC=C(OC3=C(I)C=C(C=C3I)CC(N)C(=O)O)C=C2I)C(O)C(O)C1O

Synonyms:
Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, glucuronide
Glucopyranosiduronic acid, 4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenyl, L-β-D-
Alanine, 3-[4-[4-(β-D-glucopyranuronosyloxy)-3-iodophenoxy]-3,5-diiodophenyl]-, L-
β-D-Glucopyranosiduronic acid, 4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenyl, (S)-
β-D-Glucopyranosiduronic acid, 4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2-iodophenyl