CFam Chemical Families Database
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You are searching for "CFAMM00115929" in compound.

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CFAM Mol ID CFAMM00115929
Family CFFAD982 Hidrosmin family
Superfamily CFSAD705 D-alanyl-D-alanine carboxypeptidase inhibitor B-Lactams Superfamily
Class CFCAD637 Class 637
External ID DNAP001373 External Source TTD
PubChem CID 3086603 Functional Category Approved Drug
Molecule Name Dosmalfate
IUPAC Name [2-methoxy-5-[7-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-6-methyl-3,4,5-trisulfooxyoxan-2-yl]oxymethyl]-3,4,5-trisulfooxyoxan-2-yl]oxy-4-oxo-5-sulfooxychromen-2-yl]phenyl] hydrogen sulfate
Synonyms Dosmalfate [INN];AC1MJ6H8;UNII-P764IU074T;[2-methoxy-5-[7-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-6-methyl-3,4,5-trisulfooxyoxan-2-yl]oxymethyl]-3,4,5-trisulfooxyoxan-2-yl]oxy-4-oxo-5-sulfooxychromen-2-yl]phenyl] hydrogen sulfate;122312-55-4
InChi InChI=1S/C28H32O39S8/c1-10-21(62-70(36,37)38)23(64-72(42,43)44)25(66-74(48,49)50)27(56-10)55-9-19-22(63-71(39,40)41)24(65-73(45,46)47)26(67-75(51,52)53)28(59-19)57-12-6-17-20(18(7-12)61-69(33,34)35)13(29)8-15(58-17)11-3-4-14(54-2)16(5-11)60-68(30,31)32/h3-8,10,19,21-28H,9H2,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChiKey YCGANVWZEQAZHF-YFAPSIMESA-N
Formula C28H32O39S8 Molecular Weight 1249.05
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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