Feedback

3',5'-diiodo-L-thyronine-beta-D-glucuronoside

MNXM150745 is deprecated and here replaced by MNXM1101985
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101985

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

formula

C₂₁H₂₀I₂NO₁₀

charge

-1

mass

699.91822

reference

biggM:CE2876

InChIKey

YRBUOLMYUUYBEK-YIISYXSVSA-M

InChI

InChI=1S/C21H21I2NO10/c22-11-6-10(32-9-3-1-8(2-4-9)5-13(24)19(28)29)7-12(23)17(11)33-21-16(27)14(25)15(26)18(34-21)20(30)31/h1-4,6-7,13-16,18,21,25-27H,5,24H2,(H,28,29)(H,30,31)/p-1/t13-,14+,15-,16+,18+,21-/m1/s1

SMILES

[NH3+][C@H](Cc1ccc(Oc2cc(I)c(O[C@@H]3O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@@H]3O)c(I)c2)cc1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE2876 biggM:CE2876	3',5'-diiodo-L-thyronine-beta-D-glucuronoside
hmdb:HMDB0060110	3',5'-Diiodo-L-thyronine-beta-D-glucuronoside (2S,3R,4S,5S,6S)-6-(4-{4-[(2R)-2-amino-2-carboxyethyl]phenoxy}-2,6-diiodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 3',5'-Diiodo-L-thyronine-b-D-glucuronoside
hmdb:HMDB60110 biggM:M_CE2876	secondary/obsolete/fantasy identifier