CNU

5-CYANO-URIDINE-5'-MONOPHOSPHATE

Created:	2007-12-14
Last modified:	2020-06-05

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2 entries where CNU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	0

2D diagram of CNU

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Chemical Component Summary
Name	5-CYANO-URIDINE-5'-MONOPHOSPHATE
Synonyms	5-cyano-UMP; 5-cyanouridine 5'-(dihydrogen phosphate)
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(5-cyano-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₂ N₃ O₉ P
Molecular Weight	349.191
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C#N)C(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)C#N
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(C#N)C(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N
InChI	InChI	1.03	InChI=1S/C10H12N3O9P/c11-1-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h2,5-7,9,14-15H,3H2,(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
InChIKey	InChI	1.03	BUHKUGLYORHFNN-JXOAFFINSA-N

Related Resource References

Resource Name	Reference
PubChem	25049744
ChEMBL	CHEMBL1164065

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.