CFam Chemical Families Database
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You are searching for "CFAMM00103453" in compound.

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CFAM Mol ID CFAMM00103453
Family CFFAD816 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID DNC003164 External Source TTD
PubChem CID 6323313 Functional Category Investigative Drug
Molecule Name 5-Formyl-6-Hydrofolic Acid
IUPAC Name (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Synonyms 1dfo;AC1O43PO;(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
InChi InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8-9,12-13,22H,5-7H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1
InChiKey CJLRPFSRJZBYFE-STQMWFEESA-N
Formula C20H21N7O7 Molecular Weight 471.42
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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