CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00186222" in compound.

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CFAM Mol ID CFAMM00186222
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 HMDB01179 External Source HMDB
PubChem CID 165491 Functional Category Human Metabolite
Molecule Name Nicotinic acid adenine dinucleotide
IUPAC Name 1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1$l^{5}-pyridin-1-ylium
Synonyms Deamido-NAD+;Deamidonicotinamide adenine dinucleoetide;Deamino-nad+;NAAD;NaADN;NAADP;Nicotinate adenine dinucleotide;Nicotinic acid adenine dinucleotide;Nicotinic acid adenine dinucleotide phosphate
InChi InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChiKey SENPVEZBRZQVST-HISDBWNOSA-O
Formula C21H27N6O15P2 Molecular Weight 665.42
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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