Record Information |
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Version | 1.0 |
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Creation date | 2020-04-06 11:09:12 UTC |
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Update date | 2020-04-06 23:43:20 UTC |
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Primary ID | FDB111691 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Thymidine glycol |
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Description | Thymidine glycol, also known as glycolthymidine, belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. Pyrimidine 2'-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. Thymidine glycol has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make thymidine glycol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Thymidine glycol. |
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CAS Number | Not Available |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C10H16N2O7 |
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IUPAC name | 4,5,6-trihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,5,6-tetrahydropyrimidin-2-one |
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InChI Identifier | InChI=1S/C10H16N2O7/c1-10(18)7(15)11-9(17)12(8(10)16)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,16,18H,2-3H2,1H3,(H,11,15,17)/t4-,5+,6+,8?,10?/m0/s1 |
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InChI Key | RKEITGVZZHXKON-SKAWGCAZSA-N |
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Isomeric SMILES | CC1(O)C(O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1O |
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Average Molecular Weight | 276.2432 |
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Monoisotopic Molecular Weight | 276.095750876 |
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Classification |
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Description | Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. Pyrimidine 2'-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. |
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Kingdom | Organic compounds |
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Super Class | Nucleosides, nucleotides, and analogues |
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Class | Pyrimidine nucleosides |
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Sub Class | Pyrimidine 2'-deoxyribonucleosides |
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Direct Parent | Pyrimidine 2'-deoxyribonucleosides |
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Alternative Parents | |
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Substituents | - Pyrimidine 2'-deoxyribonucleoside
- Pentose monosaccharide
- Barbiturate
- N-acyl urea
- Pyrimidone
- Ureide
- 1,3-diazinane
- Monosaccharide
- Pyrimidine
- Dicarboximide
- Tetrahydrofuran
- Tertiary alcohol
- Carbonic acid derivative
- Urea
- Secondary alcohol
- Alkanolamine
- Organoheterocyclic compound
- Azacycle
- Carboxylic acid derivative
- Oxacycle
- Organopnictogen compound
- Primary alcohol
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Alcohol
- Carbonyl group
- Organic nitrogen compound
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Thymidine glycol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05ts-5290000000-235e78c9d740ee21b7cf | Spectrum | Predicted GC-MS | Thymidine glycol, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-1110169000-0362236d3ab9846457e5 | Spectrum | Predicted GC-MS | Thymidine glycol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0900000000-64b022d4fccc5f107a63 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-053l-8920000000-1d2c2b37a5326eb8cca3 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dl-1900000000-94593e549bc35d8f7d40 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a7l-0890000000-67d9a230a9e49dc395b4 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9610000000-bac4b8dd8bd6ce35738b | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9100000000-18a2a0e5278d3469af12 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0190000000-ab3d9485c704c7f50fc4 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-1950000000-bf8ed52ffd013dc583fd | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4j-9820000000-97b9b0c9bc773e2e5b66 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-056r-1190000000-7cedee041402b0ddcc6a | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-8940000000-e6d8221930258d6dbdc8 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9300000000-78d3c140e7204d692961 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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