| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:26 UTC |
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| Update date | 2017-01-19 02:36:41 UTC |
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| FoodComEx ID | PC000924 |
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| FoodDB Record | FDB028310 |
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| Chemical Information |
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| Name | 1-Methyladenine |
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| Description | 1-Methyladenine is the product of reaction between 1-methyladenosine and water which is catalyzed by 1-methyladenosine nucleosidase. (EC:3.2.2.13)
1-Methyladenine is a product of alkylation damage in DNA which can be repaired by damage reversal by oxidative demethylation, a reaction requiring ferrous iron and 2-oxoglutarate as cofactor and co-substrate, respectively. (PMID:15576352) [HMDB] |
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| CAS Number | 5142-22-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-Methyl-1H-Purin-6-amine | hmdb | | 1-Methyl-1H-purin-6-ylamine | hmdb | | 1-Methyl-Adenine | hmdb | | 1-methyladenine | hmdb | | 1, 9-Dihydro-1-methyl-6H-Purin-6-imine | hmdb | | N1-Methyladenine | ChEBI |
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| Chemical Formula | C6H7N5 |
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| IUPAC name | 1-methyl-1H-purin-6-amine |
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| InChI Identifier | InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3 |
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| InChI Key | HPZMWTNATZPBIH-UHFFFAOYSA-N |
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| Isomeric SMILES | CN1C=NC2=NC=NC2=C1N |
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| Average Molecular Weight | 149.1533 |
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| Monoisotopic Molecular Weight | 149.070145249 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine 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 | 6-aminopurines |
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| Alternative Parents | |
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| Substituents | - 6-aminopurine
- Aminopyrimidine
- Pyrimidine
- Heteroaromatic compound
- Imidazole
- Azole
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Organonitrogen compound
- Amine
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 3 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
