CFam Chemical Families Database
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You are searching for "CFAMM00108127" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00108127
Family CFFAD853 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Family
Superfamily CFSAD715 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Superfamily
Class CFCAD645 Class 645
External ID 54394007 External Source PubChem
PubChem CID 54394007 Functional Category Patent Compound
Molecule Name
IUPAC Name
Synonyms
InChi InChI=1S/C71H115N25O17S2/c1-6-38(3)55(95-60(105)45(24-16-27-81-69(75)76)88-53(99)34-84-52(98)33-85-59(104)47(30-41-18-10-8-11-19-41)90-57(102)40(5)86-64(109)50(36-114)93-58(103)44(72)23-15-29-83-71(79)113)66(111)92-49(32-54(100)101)63(108)89-46(25-17-28-82-70(77)78)61(106)96-56(39(4)7-2)67(112)94-51(37-115)65(110)91-48(31-42-20-12-9-13-21-42)62(107)87-43(35-97)22-14-26-80-68(73)74/h8-13,18-21,35,38-40,43-51,55-56,114-115H,6-7,14-17,22-34,36-37,72H2,1-5H3,(H,84,98)(H,85,104)(H,86,109)(H,87,107)(H,88,99)(H,89,108)(H,90,102)(H,91,110)(H,92,111)(H,93,103)(H,94,112)(H,95,105)(H,96,106)(H,100,101)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)(H3,79,83,113)/t38-,39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-/m0/s1
InChiKey LMTYUBDOQSWBGW-FQDIRTAXSA-N
Formula C71H115N25O17S2 Molecular Weight 1654.96
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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