Triiodothyronine glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20I3NO10
Molecular Weight	827.0976
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Triiodothyronine glucuronide

Structure Search

SMILES

N[C@@H](CC1=CC(I)=C(OC2=CC=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(I)=C2)C(I)=C1)C(O)=O

InChI

InChIKey=YYFGGGCINNGOLE-ZDXOGFQLSA-N

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

HIDE SMILES / InChI

Molecular Formula	C21H20I3NO10
Molecular Weight	827.0976
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:33:24 GMT 2023` Edited by `admin` on `Sat Dec 16 15:33:24 GMT 2023`
Record UNII	C476A7CU7N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Triiodothyronine glucuronide

Common Name

English

(2S,3S,4S,5R,6S)-6-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2-iodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylicacid

Systematic Name

English

β-D-Glucopyranosiduronic acid, 4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2-iodophenyl

Systematic Name

English

Alanine, 3-[4-[4-(β-D-glucopyranuronosyloxy)-3-iodophenoxy]-3,5-diiodophenyl]-, L-

Systematic Name

English

L-Tyrosine, 4-[4-(β-D-glucopyranuronosyloxy)-3-iodophenoxy]-3,5-diiodo-

Common Name

English

3,5,3′-Triiodothyronine glucuronide

Common Name

English

Glucopyranosiduronic acid, 4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenyl, L-β-D-

Systematic Name

English

3,3',5-Triiodo-L-thyronine 4'-O-β-D-glucuronide

Common Name

English

β-D-Glucopyranosiduronic acid, 4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenyl, (S)-

Systematic Name

English

4-[4-[(2S)-2-Amino-2-carboxyethyl]-2,6-diiodophenoxy]-2-iodophenyl β-D-glucopyranosiduronic acid

Systematic Name

English

Code System Code Type Description

CAS

29919-72-0

Created by admin on Sat Dec 16 15:33:24 GMT 2023 , Edited by admin on Sat Dec 16 15:33:24 GMT 2023

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FDA UNII

C476A7CU7N

Created by admin on Sat Dec 16 15:33:24 GMT 2023 , Edited by admin on Sat Dec 16 15:33:24 GMT 2023

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PUBCHEM

3080759

Created by admin on Sat Dec 16 15:33:24 GMT 2023 , Edited by admin on Sat Dec 16 15:33:24 GMT 2023

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EPA CompTox

DTXSID40184035

Created by admin on Sat Dec 16 15:33:24 GMT 2023 , Edited by admin on Sat Dec 16 15:33:24 GMT 2023

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