UR3

3-METHYLURIDINE-5'-MONOPHOSHATE

Created:	2004-03-17
Last modified:	2011-12-06

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604 entries where UR3 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	4
Bond Count	38
Aromatic Bond Count	0

2D diagram of UR3

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Chemical Component Summary
Name	3-METHYLURIDINE-5'-MONOPHOSHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₅ N₂ O₉ P
Molecular Weight	338.208
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O
SMILES	CACTVS	3.370	CN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
SMILES	OpenEye OEToolkits	1.7.6	CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.370	CN1C(=O)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
InChIKey	InChI	1.03	KZSHODFDDQCIMT-ZOQUXTDFSA-N

Related Resource References

Resource Name	Reference
PubChem	44602426
ChEMBL	CHEMBL215940
ChEBI	CHEBI:74773

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