CFam Chemical Families Database
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You are searching for "CFAMM00039637" in compound.

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CFAM Mol ID CFAMM00039637
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL437329 External Source CHEMBL
PubChem CID 44309164 Functional Category Bioactive
Molecule Name 2-[[(9S,12R,15S,21R,24S,27R,33R,36S)-36-(2-amino-2-oxoethyl)-21-carbamoyl-27-(2,2-dimethylpropyl)-9,24-bis[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-8,11,14,17,23,26,29,32,35,38-decaoxo-33-propan-2-yl-19-thia-7,10,13,16,22,25,28,31,34,37-decazaspiro[5.32]octatriacontan-15-yl]methyl]propanedioic acid
IUPAC Name 2-[[(9S,12R,15S,21R,24S,27R,33R,36S)-36-(2-amino-2-oxoethyl)-21-carbamoyl-27-(2,2-dimethylpropyl)-9,24-bis[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-8,11,14,17,23,26,29,32,35,38-decaoxo-33-propan-2-yl-19-thia-7,10,13,16,22,25,28,31,34,37-decazaspiro[5.32]octatriacontan-15-yl]methyl]propanedioic acid
Synonyms CHEBI:208890
InChi InChI=1S/C60H86N12O18S/c1-30(2)21-37-49(79)68-39(23-33-13-17-35(74)18-14-33)54(84)72-60(19-9-8-10-20-60)58(90)70-41(25-44(61)75)52(82)71-47(31(3)4)55(85)63-27-45(76)65-42(26-59(5,6)7)53(83)67-38(22-32-11-15-34(73)16-12-32)50(80)69-43(48(62)78)28-91-29-46(77)64-40(51(81)66-37)24-36(56(86)87)57(88)89/h11-18,30-31,36-43,47,73-74H,8-10,19-29H2,1-7H3,(H2,61,75)(H2,62,78)(H,63,85)(H,64,77)(H,65,76)(H,66,81)(H,67,83)(H,68,79)(H,69,80)(H,70,90)(H,71,82)(H,72,84)(H,86,87)(H,88,89)/t37-,38+,39+,40+,41+,42-,43+,47-/m1/s1
InChiKey CUVFTTYTYVIUBF-XEUJSLSQSA-N
Formula C60H86N12O18S Molecular Weight 1295.46
Cross Link CHEMBL437329
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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National University of Singapore, Singapore


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