| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:50:07 UTC |
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| Update Date | 2020-05-11 20:23:03 UTC |
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| BMDB ID | BMDB0002026 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 1,9-Dimethyluric acid |
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| Description | 1,9-Dimethyluric acid, also known as 1,9-dimethylate, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Based on a literature review a small amount of articles have been published on 1,9-Dimethyluric acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1,9-Dimethylate | Generator | | 1,9-Dimethylic acid | Generator | | 1,9-Dimethyl-2,6,8-trihydroxypurine | HMDB | | 7,9-dihydro-1,9-Dimethyl-1H-purine-2,6,8(3H)-trione | HMDB |
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| Chemical Formula | C7H8N4O3 |
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| Average Molecular Weight | 196.1634 |
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| Monoisotopic Molecular Weight | 196.059640142 |
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| IUPAC Name | 1,9-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione |
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| Traditional Name | 1,9-dimethyl-3,7-dihydropurine-2,6,8-trione |
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| CAS Registry Number | 55441-62-8 |
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| SMILES | CN1C(=O)NC2=C1NC(=O)N(C)C2=O |
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| InChI Identifier | InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14) |
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| InChI Key | UARKDOLETOEBCU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
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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 | Xanthines |
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| Alternative Parents | |
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| Substituents | - Xanthine
- 6-oxopurine
- Purinone
- Alkaloid or derivatives
- Pyrimidone
- N-substituted imidazole
- Pyrimidine
- Azole
- Imidazole
- Heteroaromatic compound
- Vinylogous amide
- Lactam
- Urea
- Azacycle
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen 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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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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