| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:34:46 UTC |
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| Update Date | 2020-04-22 15:49:14 UTC |
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| BMDB ID | BMDB0012240 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Isopentenyladenine-9-N-glucoside |
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| Description | Isopentenyladenine-9-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). Isopentenyladenine-9-N-glucoside is a 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 | C17H25N5O4 |
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| Average Molecular Weight | 363.4115 |
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| Monoisotopic Molecular Weight | 363.190654313 |
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| IUPAC Name | (2R,3S,4S,5R,6S)-2-ethyl-6-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxane-3,4,5-triol |
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| Traditional Name | (2R,3S,4S,5R,6S)-2-ethyl-6-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxane-3,4,5-triol |
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| CAS Registry Number | Not Available |
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| SMILES | CC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NCC=C(C)C |
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| InChI Identifier | InChI=1S/C17H25N5O4/c1-4-10-12(23)13(24)14(25)17(26-10)22-8-21-11-15(18-6-5-9(2)3)19-7-20-16(11)22/h5,7-8,10,12-14,17,23-25H,4,6H2,1-3H3,(H,18,19,20)/t10-,12-,13+,14-,17+/m1/s1 |
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| InChI Key | MIBAUVZDWWWONW-HFVZKWEFSA-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 | - N-glycosyl compound
- 6-alkylaminopurine
- 6-aminopurine
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Secondary aliphatic/aromatic amine
- Monosaccharide
- N-substituted imidazole
- Oxane
- Imidolactam
- Pyrimidine
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Polyol
- Secondary amine
- Organonitrogen compound
- Amine
- Alcohol
- Hydrocarbon derivative
- Organic nitrogen compound
- Organopnictogen compound
- 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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