4SU

4-THIOURIDINE-5'-MONOPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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327 entries where 4SU is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	4
Bond Count	35
Aromatic Bond Count	0

2D diagram of 4SU

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Chemical Component Summary
Name	4-THIOURIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₉ H₁₃ N₂ O₈ P S
Molecular Weight	340.247
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S=C1NC(=O)N(C=C1)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=CC(=S)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1=CN(C(=O)NC1=S)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=S)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	CKTAUHRBDDXUDJ-XVFCMESISA-N

Related Resource References

Resource Name	Reference
PubChem	16655024
ChEMBL	CHEMBL1230331

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