CFam Chemical Families Database
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You are searching for "CFAMM00534662" in compound.

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CFAM Mol ID CFAMM00534662
Family CFFHM398 Amino Acids and Derivatives Metabolite Triiodothyronine glucuronide Family
Superfamily CFSBM1587 Squalene synthase inhibitor (6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-(8-phenoxyoctoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid Superfamily
Class CFCBM611 Class 3661
External ID HMDB10346 External Source HMDB
PubChem CID 3080759 Functional Category Human Metabolite
Molecule Name Triiodothyronine glucuronide
IUPAC Name (2S,3S,4S,5R,6S)-6-(4-{4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy}-2-iodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Synonyms (S)-4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl-beta-D-Glucopyranosiduronic acid;(S)-4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl-beta-delta-Glucopyranosiduronic acid;Triiodothyronine glucuronoside
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
InChiKey YYFGGGCINNGOLE-ZDXOGFQLSA-N
Formula C21H20I3NO10 Molecular Weight 827.10
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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