4OC

4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHATE

Created:	2006-08-24
Last modified:	2011-06-04

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422 entries where 4OC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	4
Bond Count	42
Aromatic Bond Count	0

2D diagram of 4OC

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Chemical Component Summary
Name	4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(4-methylamino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₁ H₁₈ N₃ O₈ P
Molecular Weight	351.25
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(NC)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O
SMILES	CACTVS	3.341	CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC
SMILES	OpenEye OEToolkits	1.5.0	CNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)OC
Canonical SMILES	CACTVS	3.341	CNC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC
InChI	InChI	1.03	InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1
InChIKey	InChI	1.03	GPJNLASIBKTFTM-PEBGCTIMSA-N

Related Resource References

Resource Name	Reference
PubChem	49866513

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