3MC

3-METHYLCYTOSINE

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

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1 entries where 3MC is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

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Chemical Component Summary
Name	3-METHYLCYTOSINE
Systematic Name (OpenEye OEToolkits)	6-amino-1-methyl-3H-pyrimidin-1-ium-2-one
Formula	C₅ H₈ N₃ O
Molecular Weight	126.137
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1[N+](=C(N)C=CN1)C
SMILES	CACTVS	3.341	C[N+]1=C(N)C=CNC1=O
SMILES	OpenEye OEToolkits	1.5.0	C[N+]1=C(C=CNC1=O)N
Canonical SMILES	CACTVS	3.341	C[N+]1=C(N)C=CNC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+]1=C(C=CNC1=O)N
InChI	InChI	1.03	InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,6,7,9)/p+1
InChIKey	InChI	1.03	UPHQQDZIRIHPHU-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB04103
Name	3-Methylcytosine
Groups	experimental
Synonyms	3-Methylcytosine
Categories	Pyrimidines Pyrimidinones

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase	MDVVSLDKPFMYFEEIDNELDYEPESANEVAKKLPYQGQLKLLLGELFFL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682