CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00100831" in compound.

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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 CFAMM00100831
Family CFFAD751 Muscarinic acetylcholine receptor Ligand Pilocarpine Family
Superfamily CFSAD632 Muscarinic acetylcholine receptor Ligand Pilocarpine Superfamily
Class CFCAD574 Class 574
External ID HMDB05769 External Source HMDB
PubChem CID 10198648 Functional Category Human Metabolite
Molecule Name Balenine
IUPAC Name (2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
Synonyms beta-Alanyl-N tau-methyl histidine;N(beta)-Alanyl-1-methyl-histidine;N-beta-Ala-1-methyl-his;Nbeta-Alanyl-1-methyl-histidine;Nbeta-Alanyl-1-methyl-L-histidine;Ophidine
InChi InChI=1S/C10H16N4O3/c1-14-5-7(12-6-14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChiKey SLRNWACWRVGMKD-QMMMGPOBSA-N
Formula C10H16N4O3 Molecular Weight 240.26
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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