| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:34:50 UTC |
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| Update Date | 2020-04-22 15:49:15 UTC |
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| BMDB ID | BMDB0012243 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Kinetin-7-N-glucoside |
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| Description | Kinetin-7-N-glucoside belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Kinetin-7-N-glucoside is a very strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C16H19N5O6 |
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| Average Molecular Weight | 377.352 |
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| Monoisotopic Molecular Weight | 377.133533365 |
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| IUPAC Name | (2S,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]-7H-purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol |
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| Traditional Name | (2S,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol |
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| CAS Registry Number | Not Available |
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| SMILES | OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1C(NCC1=CC=CO1)=NC=N2 |
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| InChI Identifier | InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1 |
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| InChI Key | AXJIOWGMASZFOU-HMXKMONRSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Glycosylamines |
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| Alternative Parents | |
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| Substituents | - Hexose monosaccharide
- N-glycosyl compound
- 6-alkylaminopurine
- 6-aminopurine
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Secondary aliphatic/aromatic amine
- Monosaccharide
- N-substituted imidazole
- Oxane
- Pyrimidine
- Imidolactam
- Heteroaromatic compound
- Azole
- Furan
- Imidazole
- Secondary alcohol
- Azacycle
- Oxacycle
- Secondary amine
- Polyol
- Organoheterocyclic compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic nitrogen compound
- Alcohol
- Amine
- Primary alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 | Solid |
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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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