| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:27 UTC |
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| Update date | 2017-01-19 02:36:41 UTC |
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| FoodComEx ID | PC000929 |
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| FoodDB Record | FDB028311 |
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| Chemical Information |
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| Name | 3-Methyladenine |
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| Description | 3-Methyladenine is one of the purines damaged by alkylation and oxidation which can be recognized and excised by the human 3-methyladenine DNA glycosylase (AAG) (EC: EC 3.2.2.21) [HMDB]. 3-Methyladenine is found in many foods, some of which are sacred lotus, evergreen huckleberry, swamp cabbage, and red rice. |
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| CAS Number | 5142-23-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Methyl-3H-adenine | ChEBI | | 3-methyl-3H-Purin-6-amine | hmdb | | 3-methyl-3H-purin-6-amine (ACD/Name 4.0) | hmdb | | 3-METHYL-3H-purin-6-ylamine | ChEBI | | 3-methyl-3H-purin-6-ylamine (ACD/Name 4.0) | hmdb | | 3-methyl-Adenine | hmdb | | 6-Amino-3-methylpurine | hmdb |
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| Chemical Formula | C6H7N5 |
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| IUPAC name | 3-methyl-3H-purin-6-amine |
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| InChI Identifier | InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3 |
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| InChI Key | FSASIHFSFGAIJM-UHFFFAOYSA-N |
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| Isomeric SMILES | CN1C=NC(N)=C2N=CN=C12 |
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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
- Imidolactam
- 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 30 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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| AKSci | J11161 |
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| AKSci | X5709 |
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| Cayman Chemical | 13242 |
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| Glentham | GL3599 |
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| iChemical | 5142-23-4 |
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| MetaSci | HMDB0011600 |
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| Toronto Research Chemicals | M275904 |
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