CFam Chemical Families Database
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You are searching for "CFAMM00034755" in compound.

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CFAM Mol ID CFAMM00034755
Family CFFAD189 Adenosine receptor A3 ligand purine nucleoside Adenosine Family
Superfamily CFSAD177 Adenosine receptor, DNA binding purine nucleoside Adenosine analog Superfamily
Class CFCAD172 Class 172
External ID DNC002744 External Source TTD
PubChem CID 92199 Functional Category Investigative Drug
Molecule Name Phosphomethylphosphonic Acid Adenosyl Ester
IUPAC Name [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Synonyms Adenosine 5'-methylenediphosphate;ALPHA,BETA-METHYLENEADENOSINE 5'-DIPHOSPHATE;Adenosine, 5'-(trihydrogen methylenebis(phosphonate));phosphomethylphosphonic acid adenosyl ester;CHEBI:40730;EINECS 223-194-0;Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate);NSC 614641;Adenosine 5'-(alpha,beta-methylene)diphosphate;A12
InChi InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChiKey OLCWZBFDIYXLAA-IOSLPCCCSA-N
Formula C11H17N5O9P2 Molecular Weight 425.23
Cross Link CHEMBL583969
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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