5CM

5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE

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

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1 entries where 5CM is found as a standalone ligand270 entries where 5CM is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	3
Bond Count	38
Aromatic Bond Count	0

2D diagram of 5CM

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Chemical Component Summary
Name	5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₆ N₃ O₇ P
Molecular Weight	321.224
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(N)C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C
SMILES	CACTVS	3.341	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N=C1N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	RGDVNLHBCKWZDA-XLPZGREQSA-N

Related Resource References

Resource Name	Reference
PubChem	102276
ChEBI	CHEBI:16764

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