CFam Chemical Families Database
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You are searching for "CFAMM00186225" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00186225
Family CFFID272 3-hydroxy-3-methylglutaryl-coenzyme A reductase and Alcohol dehydrogenase [NADP(+)] Inhibitor 2'-monophosphoadenosine 5'-diphosphoribose Family
Superfamily CFSID222 Adenosine receptor A2a and Adenosine receptor A1 Binder Superfamily
Class CFCAD652 Class 652
External ID CHEMBL254869 External Source CHEMBL
PubChem CID 123756 Functional Category Bioactive
Molecule Name 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE)
IUPAC Name [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
Synonyms 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,13,17-tetramethyl-;Adenosine 5'-(tetrahydrogen triphosphate), 3'-(2-(methylamino)benzoate);85287-56-5;AC1L3X8M;AC1Q6S3I;3'-O-N-Methylanthraniloyl-ATP;CHEBI:519147;CHEMID085287565;3'-O-(N-methylanthraniloyl) ATP
InChi InChI=1S/C18H23N6O14P3/c1-20-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
InChiKey YAPJXKKTHXODSV-LSCFUAHRSA-N
Formula C18H23N6O14P3 Molecular Weight 640.33
Cross Link CHEMBL254869
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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