| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:41 UTC |
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| Update date | 2017-01-19 02:36:36 UTC |
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| FoodComEx ID | PC000793 |
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| FoodDB Record | FDB014518 |
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| Chemical Information |
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| Name | 1-Methylguanine |
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| Description | Present in Chinese cabbage (Brassica chinensis), and other plants
1-Methylguanine is a naturally occurring modified purine derived from tRNA, found in elevated levels in the serum and urine of cancer patients. (PMID: 2413515); Increase of 1-methylguanine in the urine of colorectal tumor bearing patients, has been justified either by a more rapid turnover of nucleic acids in tumor tissue or by an increase in the extent of their methylation. (PMID: 9069642) |
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| CAS Number | 938-85-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-methyl-(8CI)-guanine | biospider | | 1-methyl-guanine | biospider | | 2-amino-1-methyl-1,9-dihydro-6H-purin-6-one | biospider | | 2-Amino-1,7-dihydro-1-methyl-6H-purin-6-one | biospider | | 2-Amino-1,7-dihydro-1-methyl-6H-purin-6-one, 9CI | db_source | | 2-Amino-6-hydroxy-1-methylpurine | biospider | | 6H-Purin-6-one, 2-amino-1,7-dihydro-1-methyl- | biospider | | 6H-Purin-6-one, 2-amino-1,7-dihydro-1-methyl- (9CI) | biospider | | Guanine, 1-methyl- | biospider | | Guanine, 1-methyl- (8CI) | biospider | | N1-Methylguanine | biospider | | rRNA containing N1-methylguanine | biospider |
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| Chemical Formula | C12H14N10O2 |
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| IUPAC name | bis(2-imino-1-methyl-2,3,6,9-tetrahydro-1H-purin-6-one) |
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| InChI Identifier | InChI=1S/2C6H7N5O/c2*1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2*2H,1H3,(H2,7,10)(H,8,9) |
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| InChI Key | XIUGXLYVSVNLRR-UHFFFAOYSA-N |
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| Isomeric SMILES | CN1C(N)=NC2=C(NC=N2)C1=O.CN1C(N)=NC2=C(N=CN2)C1=O |
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| Average Molecular Weight | 330.3054 |
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| Monoisotopic Molecular Weight | 330.130119742 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 6-oxopurines. These are purines that carry a C=O 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-oxopurines |
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| Alternative Parents | |
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| Substituents | - 6-oxopurine
- Pyrimidone
- Pyrimidine
- Azole
- Imidazole
- Heteroaromatic compound
- Vinylogous amide
- Lactam
- Azacycle
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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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 | Mp 350° | DFC |
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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 10 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 |
