Feedback

L-thyroxine phenolic beta-D-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM18963

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

formula

C₂₁H₁₈I₄NO₁₀

charge

-1

mass

951.71151

reference

metacycM:CPD-11398

InChIKey

RGHRJBIKIYUHEV-SGPDEFQSSA-M

InChI

InChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/p-1/t12-,13-,14-,15+,18-,21?/m0/s1

SMILES

[NH3+][C@@H](Cc1cc(I)c(Oc2cc(I)c(OC3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c(I)c2)c(I)c1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-11398 metacycM:CPD-11398 seed.compound:cpd22929 seedM:cpd22929	L-thyroxine phenolic beta-D-glucuronide L-thyroxine phenolic glucuronide T4G beta-D-glucopyranosiduronic acid, 4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2,6-diiodophenyl, (S)- thyroxine glucuronide
hmdb:HMDB0010326	Thyroxine glucuronide (2S,3S,4S,5R)-6-(4-{4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy}-2,6-diiodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate (2S,3S,4S,5R)-6-(4-{4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy}-2,6-diiodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (S)-4-[4-(2-Amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenyl beta-D-glucopyranosiduronic acid (S)-4-[4-(2-Amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenyl beta-delta-glucopyranosiduronate (S)-4-[4-(2-Amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenyl beta-delta-glucopyranosiduronic acid L-Thyroxine glucuronide T4G beta-D 4-[4-(L-2-Amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenyl glucopyranosiduronate beta-D 4-[4-(L-2-Amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenyl glucopyranosiduronic acid thyroxine glucuronide
hmdb:HMDB10326 seedM:M_cpd22929	secondary/obsolete/fantasy identifier