| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-05-02 11:56:49 UTC |
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| Update date | 2018-05-04 14:26:01 UTC |
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| FoodComEx ID | PC001169 |
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| FoodDB Record | FDB022305 |
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| Chemical Information |
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| Name | 7-Methylguanine |
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| Description | 7-Methylguanine is a metabolite of DNA methylation and depurination observed in normal human biofluids; however, it has been found significantly higher in the urine of smokers than in nonsmokers. (PMID 16059882) [HMDB] |
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| CAS Number | 578-76-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-amino-1,7-dihydro-7-Methyl-6H-purin-6-one | ChEBI | | 2-amino-1,7-dihydroxy-7-methyl-6H-purine-6-one | hmdb | | 2-Amino-6-hydroxy-7-methylpurine | hmdb | | 2-Amino-7-methylhypoxanthine | hmdb | | 7-methyl-Guanine | hmdb | | 7-methyl-Guanine (8CI) | hmdb | | 7-Methylguanine | hmdb | | N-Methylguanine | hmdb | | N(7)-Methylguanine | ChEBI | | N7-Methylguanine | hmdb |
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| Chemical Formula | C6H7N5O |
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| IUPAC name | 2-amino-7-methyl-6,7-dihydro-3H-purin-6-one |
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| InChI Identifier | InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12) |
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| InChI Key | FZWGECJQACGGTI-UHFFFAOYSA-N |
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| Isomeric SMILES | CN1C=NC2=C1C(=O)N=C(N)N2 |
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| Average Molecular Weight | 165.1527 |
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| Monoisotopic Molecular Weight | 165.065059871 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hypoxanthines. Hypoxanthines are compounds containing the purine derivative 1H-purin-6(9H)-one. 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 | Hypoxanthines |
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| Alternative Parents | |
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| Substituents | - 6-oxopurine
- Hypoxanthine
- Aminopyrimidine
- Pyrimidone
- N-substituted imidazole
- Pyrimidine
- Azole
- Imidazole
- Heteroaromatic compound
- Vinylogous amide
- Azacycle
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Amine
- Organopnictogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxygen compound
- 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 | 1 to 2 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | RT |
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| Stability | Not Available |
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| Purity | unknown |
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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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| Contact Name | Contact Institution | Contact Email |
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| Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
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| Commercial Vendors |
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| Cayman Chemical | 18161 |
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| Toronto Research Chemicals | M311790 |
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