| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:39 UTC |
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| Update date | 2017-01-19 02:36:36 UTC |
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| FoodComEx ID | PC000779 |
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| FoodDB Record | FDB021791 |
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| Chemical Information |
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| Name | 1-Methyladenosine |
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| Description | Modified nucleoside present in t-RNA's [DFC]
Minor constituant of raw bovine milk |
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| CAS Number | 15763-06-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| N,6-Didehydro-1,6-dihydro-1-methyladenosine, 9CI | manual | | N1-Methyladenosine | HMDB |
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| Chemical Formula | C11H15N5O4 |
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| IUPAC name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol |
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| InChI Identifier | InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 |
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| InChI Key | GFYLSDSUCHVORB-IOSLPCCCSA-N |
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| Isomeric SMILES | CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N |
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| Average Molecular Weight | 281.2679 |
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| Monoisotopic Molecular Weight | 281.112403993 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. |
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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 | Not Available |
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| Direct Parent | Purine nucleosides |
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| Alternative Parents | |
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| Substituents | - Purine nucleoside
- Glycosyl compound
- N-glycosyl compound
- Pentose monosaccharide
- Imidazopyrimidine
- Purine
- Monosaccharide
- N-substituted imidazole
- Imidolactam
- Pyrimidine
- Heteroaromatic compound
- Azole
- Imidazole
- Tetrahydrofuran
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Primary alcohol
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 5 mg |
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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 | 7721AJ |
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| Cayman Chemical | 16937 |
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| Cayman Chemical | HMDB0003331 |
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| Glentham | GN7727 |
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| MetaSci | HMDB0003331 |
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| Toronto Research Chemicals | M285065 |
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