CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00535047" 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 CFAMM00535047
Family CFFHM478 Amino Acids and Derivatives Metabolite 1,4-Benzothiazine-O-quinonimine Family
Superfamily CFSHM280 Amino Acids and Derivatives Metabolite 1,4-Benzothiazine-O-quinonimine Family
Class CFCHM174 Class 7259
External ID HMDB12491 External Source HMDB
PubChem CID 53481441 Functional Category Human Metabolite
Molecule Name 1,4-Benzothiazine-O-quinonimine
IUPAC Name (3S)-7-[(2R)-2-amino-2-carboxyethyl]-5-oxo-3,5-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
Synonyms QI
InChi InChI=1S/C12H12N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7H,1,4,13H2,(H,16,17)(H,18,19)/t6-,7-/m1/s1
InChiKey NANJICKTJNNTGA-RNFRBKRXSA-N
Formula C12H12N2O5S Molecular Weight 296.30
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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