CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00049232" 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.

Search Results

CFAM Mol ID CFAMM00049232
Family CFFAD314 Cytochrome P450 11B1, mitochondrial Inhibitor Metyrapone Family
Superfamily CFSAD269 Cytochrome P450 11B1, mitochondrial Inhibitor Metyrapone Superfamily
Class CFCAD255 Class 255
External ID HMDB11603 External Source HMDB
PubChem CID 47289 Functional Category Human Metabolite
Molecule Name 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
IUPAC Name 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
Synonyms 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone;4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone;4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanone;4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone;NNK;NNK (carcinogen)
InChi InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChiKey FLAQQSHRLBFIEZ-UHFFFAOYSA-N
Formula C10H13N3O2 Molecular Weight 207.23
Cross Link CHEMBL2311069
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
 

 

53681 visits since 2014 .........

 



Dr. Chen Yuzong

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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00049232'),None, txtsearch, CFAMM00049232|