CFam Chemical Families Database
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You are searching for "CFAMM00039641" in compound.

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CFAM Mol ID CFAMM00039641
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL446794 External Source CHEMBL
PubChem CID 44589028 Functional Category Bioactive
Molecule Name (2R,3S)-4-[2-[[(2S)-3-(3-dodecanoyloxydecylamino)-3-oxo-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-3-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methyl-4-oxobutanoic acid
IUPAC Name (2R,3S)-4-[2-[[(2S)-3-(3-dodecanoyloxydecylamino)-3-oxo-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-3-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methyl-4-oxobutanoic acid
Synonyms CHEBI:614842
InChi InChI=1S/C54H95N4O13P/c1-5-8-11-14-16-18-19-21-22-25-28-31-48(60)57-47(52(63)55-38-37-46(30-27-24-13-10-7-3)71-50(62)32-29-26-23-20-17-15-12-9-6-2)42-70-72(67,68)69-40-39-56-53(64)51(43(4)54(65)66)58-49(61)41-44-33-35-45(59)36-34-44/h33-36,43,46-47,51,59H,5-32,37-42H2,1-4H3,(H,55,63)(H,56,64)(H,57,60)(H,58,61)(H,65,66)(H,67,68)/t43-,46?,47+,51+/m1/s1
Formula C54H95N4O13P Molecular Weight 1039.32
Cross Link CHEMBL446794

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).

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National University of Singapore, Singapore

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