CFam Chemical Families Database
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You are searching for "CFAMM00056257" in compound.

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CFAM Mol ID CFAMM00056257
Family CFFAD398 Glucan synthesis regulatory protein Inhibitor Caspofungin Family
Superfamily CFSAD344 Glucan synthesis regulatory protein Inhibitor Caspofungin Superfamily
Class CFCAD323 Class 323
External ID DAP000547 External Source TTD
PubChem CID 151068 Functional Category Approved Drug
Molecule Name Caspofungin
IUPAC Name
Synonyms Caspofungin [INN];Cancidas;UNII-F0XDI6ZL63;AC1L45LR;HSDB 7476;162808-62-0;LS-186994;LS-187635;(4R,5S)-5-((2-Aminoethyl)amino)-N(sup 2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide
InChi InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40?,41+,42?,43+,44+,45+,46-/m1/s1
InChiKey JYIKNQVWKBUSNH-FMIIYRCSSA-N
Formula C52H88N10O15 Molecular Weight 1093.31
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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