CFam Chemical Families Database
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You are searching for "CFAMM00103555" in compound.

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CFAM Mol ID CFAMM00103555
Family CFFAD816 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID HMDB06826 External Source HMDB
PubChem CID 45479706 Functional Category Human Metabolite
Molecule Name Tetrahydrofolyl-[Glu](n)
IUPAC Name 2-(4-{4-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido}-4-carboxybutanamido)pentanedioic acid
Synonyms Tetrahydrofolyl-[Glu](N+1);Tetrahydropteroyl-[gamma-Glu]N;Tetrahydropteroyl-[gamma-Glu]N+1;THF-L-Glutamic acid;THF-polyglutamate
InChi InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)
InChiKey RXWVHRYZTWZATH-UHFFFAOYSA-N
Formula C29H37N9O12 Molecular Weight 703.66
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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