| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-05-31 14:52:15 -0600 |
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| Update Date | 2015-09-13 12:56:14 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | N1-Methyladenine |
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| Description | 1-Methyladenine is a methylated nucleobase. DNA can be methylated by various natural processes and the removal of alkyl groups is mediated by the protein known as AlkB. If not, the breakdown products of these alkylations (i.e. alkylated bases) could appear in the cellular medium. |
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| Structure | |
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| Synonyms: | - 1, 9-Dihydro-1-methyl-6H-Purin-6-imine
- 1,9-Dihydro-1-methyl-6H-Purin-6-imine
- 1-Methyl-1H-Purin-6-amine
- 1-Methyl-1H-purin-6-ylamine
- 1-Methyl-Adenine
- 1-Methyladenine
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| Chemical Formula: | C6H7N5 |
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| Weight: | Average: 149.1533
Monoisotopic: 149.070145249 |
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| InChI Key: | SATCOUWSAZBIJO-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9) |
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| CAS number: | 5142-22-3 |
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| IUPAC Name: | 1-methyl-6,9-dihydro-1H-purin-6-imine |
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| Traditional IUPAC Name: | 1-methyladenine |
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| SMILES: | CN1C=NC2=C(N=CN2)C1=N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Imidazopyrimidines |
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| Sub Class | Purines and purine derivatives |
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| Direct Parent | Purines and purine derivatives |
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| Alternative Parents | |
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| Substituents | - Purine
- Imidolactam
- Pyrimidine
- Heteroaromatic compound
- Imidazole
- Azole
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State: | Solid |
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| Charge: | 0 |
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| Melting point: | > 300 °C |
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| Experimental Properties: | |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations: | Cytoplasm |
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| Reactions: | |
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| SMPDB Pathways: | Not Available |
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| KEGG Pathways: | Not Available |
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| EcoCyc Pathways: | Not Available |
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| Concentrations |
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| Not Available |
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| Spectra |
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| Spectra: | |
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| References |
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| References: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
- Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
- van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
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| Synthesis Reference: | Not Available |
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| Material Safety Data Sheet (MSDS) | Download (PDF) |
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| Links |
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| External Links: | |
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