| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:27:39 UTC |
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| Update date | 2017-01-19 02:36:11 UTC |
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| FoodComEx ID | PC000041 |
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| FoodDB Record | FDB021922 |
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| Chemical Information |
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| Name | Thymine |
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| Description | One of the pyrimidine bases of living matter. Derivation: Hydrolysis of deoxyribonucleic acid, from methylcyanoacetylurea by catalytic reduction. Use: Biochemical research. (Hawley's Condensed Chemical Dictionary)
Thymine is a pyrimidine nucleobase. As the name implies, thymine may be derived by methylation of uracil at the 5th carbon. Thymine is found in the nucleic acid DNA. In RNA thymine is replaced with uracil in most cases. In DNA, thymine binds to adenine via two hydrogen bonds to assist in stabilizing the nucleic acid structures. [HMDB] |
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| CAS Number | 65-71-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2,4-Dihydroxy-5-methylpyrimidine | hmdb | | 4-Hydroxy-5-methylpyrimidin-2(1H)-one | hmdb | | 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione | hmdb | | 5-Methyl-2,4-dihydroxypyrimidine | hmdb | | 5-Methyl-2,4(1H,3H)-pyrimidinedione | hmdb | | 5-Methylpyrimidine-2,4-dione | hmdb | | 5-Methylpyrimidine-2,4(1H,3H)-dione | ChEBI | | 5-Methyluracil | hmdb | | Thy | ChEBI | | Thymin | ChEBI | | Thymine | hmdb |
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| Chemical Formula | C5H6N2O2 |
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| IUPAC name | 5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
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| InChI Identifier | InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) |
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| InChI Key | RWQNBRDOKXIBIV-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1=CNC(=O)NC1=O |
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| Average Molecular Weight | 126.1133 |
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| Monoisotopic Molecular Weight | 126.042927446 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. 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 | Hydroxypyrimidines |
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| Alternative Parents | |
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| Substituents | - Hydroxypyrimidine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen 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 2 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 | D812 |
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| AKSci | J91030 |
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| Calbiochem | HMDB0000262 |
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| Glentham | GE5340 |
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| MetaSci | HMDB0000262 |
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| Toronto Research Chemicals | T412150 |
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