CFam Chemical Families Database
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You are searching for "CFAMM00302660" in compound.

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CFAM Mol ID CFAMM00302660
Family CFFID4113 Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5'-phenyladenophostin A Family
Superfamily CFSID2779 Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5'-phenyladenophostin A Superfamily
Class CFCCD476 Class 1289
External ID DNC014776 External Source TTD
PubChem CID 11506118 Functional Category Investigative Drug
Molecule Name 5'-Deoxy-5'-phenyladenophostin A
IUPAC Name [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-benzyl-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxyoxolan-3-yl] dihydrogen phosphate
Synonyms 5'-Deoxy-5'-phenyladenophostin A;DNC014776
InChi InChI=1S/C22H30N5O17P3/c23-19-13-20(25-8-24-19)27(9-26-13)21-18(44-47(36,37)38)15(11(39-21)6-10-4-2-1-3-5-10)41-22-14(29)17(43-46(33,34)35)16(12(7-28)40-22)42-45(30,31)32/h1-5,8-9,11-12,14-18,21-22,28-29H,6-7H2,(H2,23,24,25)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t11-,12-,14-,15-,16-,17-,18-,21-,22-/m1/s1
InChiKey HQEPXXWNKLEIRE-NYCICKCISA-N
Formula C22H30N5O17P3 Molecular Weight 729.42
Cross Link CHEMBL1161890
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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