CFam Chemical Families Database
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You are searching for "CFAMM00108153" in compound.

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CFAM Mol ID CFAMM00108153
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 CHEMBL1784787 External Source CHEMBL
PubChem CID 54581408 Functional Category Bioactive
Molecule Name (2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-phosphonooxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid
IUPAC Name (2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-phosphonooxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid
Synonyms CHEBI:1251467
InChi InChI=1S/C62H104N19O25P/c1-6-29(2)45(66)57(97)76-39(26-82)54(94)71-35(17-12-22-69-62(67)68)50(90)75-40(27-83)55(95)78-46(30(3)84)59(99)77-41(28-106-107(103,104)105)60(100)81-23-13-18-42(81)56(96)79-47(31(4)85)58(98)74-37(24-33-14-8-7-9-15-33)52(92)73-38(25-44(65)88)53(93)70-34(16-10-11-21-63)49(89)72-36(19-20-43(64)87)51(91)80-48(32(5)86)61(101)102/h7-9,14-15,29-32,34-42,45-48,82-86H,6,10-13,16-28,63,66H2,1-5H3,(H2,64,87)(H2,65,88)(H,70,93)(H,71,94)(H,72,89)(H,73,92)(H,74,98)(H,75,90)(H,76,97)(H,77,99)(H,78,95)(H,79,96)(H,80,91)(H,101,102)(H4,67,68,69)(H2,103,104,105)/t29-,30+,31+,32+,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-,47-,48-/m0/s1
InChiKey ZPCKFRDLLBPMKR-COYLPFMLSA-N
Formula C62H104N19O25P Molecular Weight 1546.58
Cross Link CHEMBL1784787
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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