| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:51 UTC |
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| Update date | 2017-01-19 02:36:19 UTC |
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| FoodComEx ID | PC000316 |
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| FoodDB Record | FDB022061 |
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| Chemical Information |
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| Name | 5-Hydroxymethyluracil |
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| Description | 5-Hydroxymethyluracil is an oxidation damage product derived from thymine or 5-methylcytosine. It is a product of thymine dioxygenase [EC 1.14.11.6]. (KEGG)
Additional deamination products such as 5-hydroxymethyluracil are formed when cells are under oxidative stress that is induced either by oxidizing agents or by mitochondrial dysfunction. (PMID: 12361800) [HMDB] |
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| CAS Number | 4433-40-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 5-(Hydroxymethyl)-1,3-dihydropyrimidine-2,4-dione | hmdb | | 5-(Hydroxymethyl)-2,4(1H,3H)-pyrimidinedione | hmdb | | 5-(Hydroxymethyl)uracil | hmdb | | 5-HYDROXYMETHYL uracil | ChEBI | | 5-Hydroxymethyluracil | hmdb | | a-Hydroxythymine | hmdb | | alpha-Hydroxythymine | hmdb |
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| Chemical Formula | C5H6N2O3 |
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| IUPAC name | 5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
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| InChI Identifier | InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10) |
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| InChI Key | JDBGXEHEIRGOBU-UHFFFAOYSA-N |
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| Isomeric SMILES | OCC1=CNC(=O)NC1=O |
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| Average Molecular Weight | 142.1127 |
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| Monoisotopic Molecular Weight | 142.037842068 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazines |
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| Sub Class | Pyrimidines and pyrimidine derivatives |
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| Direct Parent | Pyrimidones |
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| Alternative Parents | |
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| Substituents | - Pyrimidone
- Hydropyrimidine
- Vinylogous amide
- Heteroaromatic compound
- Lactam
- Urea
- Azacycle
- Alcohol
- Hydrocarbon derivative
- Aromatic alcohol
- Organic oxide
- Organopnictogen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 1 g |
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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 | 7364AF |
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| AKSci | C369 |
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| AKSci | J91501 |
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| AKSci | HMDB0000469 |
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| Cayman Chemical | 89360 |
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| MetaSci | HMDB0000469 |
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| Toronto Research Chemicals | H948375 |
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