| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:02:09 UTC |
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| Update Date | 2020-04-22 18:56:25 UTC |
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| BMDB ID | BMDB0096158 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common 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. Based on a literature review very few articles have been published on Thymidine glycol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Thymidine glycol, (5R,6R)-isomer | HMDB | | Thymidine glycol, (cis)-isomer | HMDB | | Thymidine glycol, (trans)-isomer | HMDB | | 5,6-Dihydro-5,6-dihydroxythymidine | HMDB | | Glycolthymidine | HMDB | | Thymidine glycol, (5R*,6S*)-isomer | HMDB | | Thymidine glycol, (5R,6S)-isomer | HMDB | | 5,6-Dihydroxy-5,6-dihydrothymidine | HMDB | | Thymidine glycol, (5S,6R)-isomer | HMDB | | Thymidine glycol, (5S,6S)-isomer | HMDB | | Thymidine glycol | MeSH |
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| Chemical Formula | C10H16N2O7 |
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| Average Molecular Weight | 276.2432 |
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| Monoisotopic Molecular Weight | 276.095750876 |
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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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| Traditional Name | 4,5,6-trihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6H-pyrimidin-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | CC1(O)C(O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1O |
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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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| Chemical Taxonomy |
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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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| 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 | Not Available |
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| Physical Properties |
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| State | Not Available |
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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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