5MC

5-METHYLCYTIDINE-5'-MONOPHOSPHATE

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

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1 entries where 5MC is found as a standalone ligand760 entries where 5MC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	4
Bond Count	39
Aromatic Bond Count	0

2D diagram of 5MC

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Chemical Component Summary
Name	5-METHYLCYTIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₆ N₃ O₈ P
Molecular Weight	337.223
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(N)C(=CN1C2OC(C(O)C2O)COP(=O)(O)O)C
SMILES	CACTVS	3.341	CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N=C1N
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N=C1N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey	InChI	1.03	NJQONZSFUKNYOY-JXOAFFINSA-N

Drug Info: DrugBank

DrugBank ID	DB01995
Name	5-methylcytidine 5'-monophosphate
Groups	experimental
Synonyms	5-methylcytidylic acid 5-methylcytidine 5'-monophosphate 5-methyl-CMP 5-methylcytidine-5'-monophosphate
Categories	Cytosine Nucleotides Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Pyrimidine Nucleotides Pyrimidines Ribonucleotides
CAS number	3590-36-1

Related Resource References

Resource Name	Reference
PubChem	192785
ChEMBL	CHEMBL72388
ChEBI	CHEBI:74725

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