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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:19:38 UTC |
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Update Date | 2020-05-21 16:28:54 UTC |
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BMDB ID | BMDB0000101 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Deoxyadenosine |
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Description | Deoxyadenosine, also known as dA, belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. Purine 2'-deoxyribonucleosides are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2. Deoxyadenosine exists as a solid, possibly soluble (in water), and a strong basic compound (based on its pKa) molecule. Deoxyadenosine exists in all living species, ranging from bacteria to humans. Deoxyadenosine is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol | ChEBI | 5-(6-AMINO-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol | ChEBI | 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)adenine | ChEBI | 9-(2-Deoxy-beta-D-ribofuranosyl)-9H-purin-6-amine | ChEBI | Adenine deoxyribonucleoside | ChEBI | Adenyldeoxyriboside | ChEBI | dA | ChEBI | 2'-Deoxyadenosine | Kegg | 9-(2-Deoxy-b-D-erythro-pentofuranosyl)adenine | Generator | 9-(2-Deoxy-β-D-erythro-pentofuranosyl)adenine | Generator | 9-(2-Deoxy-b-D-ribofuranosyl)-9H-purin-6-amine | Generator | 9-(2-Deoxy-β-D-ribofuranosyl)-9H-purin-6-amine | Generator | 1-(6-Amino-9H-purin-9-yl)-1,2-dideoxy-b-D-ribofuranose | HMDB | 1-(6-Amino-9H-purin-9-yl)-1,2-dideoxy-beta-D-ribofuranose | HMDB | 1-(6-Amino-9H-purin-9-yl)-1,2-dideoxy-beta-delta-ribofuranose | HMDB | 2-Deoxyadenosine | HMDB | 9-(2-Deoxy-b-D-erythro-pentofuranosyl)-9H-purin-6-amine | HMDB | 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-amine | HMDB | 9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-9H-purin-6-amine | HMDB | 9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)adenine | HMDB | 9-(2-Deoxy-beta-delta-ribofuranosyl)-9H-purin-6-amine | HMDB | Adenine deoxyribose | HMDB | Adenine-9 2-deoxy-b-D-erythro-pentofuranoside | HMDB | Adenine-9 2-deoxy-beta-D-erythro-pentofuranoside | HMDB | Adenine-9 2-deoxy-beta-delta-erythro-pentofuranoside | HMDB | Desoxyadenosine | HMDB | Deoxyadenosine | ChEBI |
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Chemical Formula | C10H13N5O3 |
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Average Molecular Weight | 251.2419 |
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Monoisotopic Molecular Weight | 251.101839307 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 958-09-8 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 |
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InChI Key | OLXZPDWKRNYJJZ-RRKCRQDMSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. Purine 2'-deoxyribonucleosides are compounds consisting of a purine 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 | Purine nucleosides |
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Sub Class | Purine 2'-deoxyribonucleosides |
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Direct Parent | Purine 2'-deoxyribonucleosides |
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Alternative Parents | |
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Substituents | - Purine 2'-deoxyribonucleoside
- 6-aminopurine
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- N-substituted imidazole
- Pyrimidine
- Imidolactam
- Azole
- Imidazole
- Heteroaromatic compound
- Tetrahydrofuran
- Secondary alcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Amine
- Primary amine
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Alcohol
- Organic nitrogen compound
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Status | Detected 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 | - Cytoplasm
- Lysosome
- Mitochondria
- Nucleus
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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 | 189 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | -0.55 | HANSCH,C ET AL. (1995) |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | - Cytoplasm
- Lysosome
- Mitochondria
- Nucleus
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Biospecimen Locations | |
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Pathways | |
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Normal Concentrations |
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All Tissues | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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| Not Available |
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External Links |
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HMDB ID | HMDB0000101 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB021894 |
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KNApSAcK ID | C00019281 |
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Chemspider ID | 13135 |
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KEGG Compound ID | C00559 |
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BioCyc ID | DEOXYADENOSINE |
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BiGG ID | 35352 |
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Wikipedia Link | Deoxyadenosine |
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METLIN ID | 3382 |
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PubChem Compound | 13730 |
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PDB ID | Not Available |
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ChEBI ID | 17256 |
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References |
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Synthesis Reference | Anderson, Charles D.; Goodman, Leon; Baker, B. R. Potential anticancer agents. XIX. Synthesis of 2-deoxyadenosine. Journal of the American Chemical Society (1959), 81 3967-74. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Colman E, Fokkink WB, Craninx M, Newbold JR, De Baets B, Fievez V: Effect of induction of subacute ruminal acidosis on milk fat profile and rumen parameters. J Dairy Sci. 2010 Oct;93(10):4759-73. doi: 10.3168/jds.2010-3158. [PubMed:20855010 ]
- Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. [PubMed:29565828 ]
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