Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 04:56:58 UTC |
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Update Date | 2016-11-09 01:21:08 UTC |
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Accession Number | CHEM034482 |
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Identification |
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Common Name | (Z)-9-Glucosylzeatin |
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Class | Small Molecule |
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Description | Isolated from Solanum tuberosum (potatoes). (Z)-9-Glucosylzeatin is found in potato. |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Not Available |
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Chemical Formula | C16H23N5O6 |
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Average Molecular Mass | 381.384 g/mol |
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Monoisotopic Mass | 381.165 g/mol |
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CAS Registry Number | 169565-72-4 |
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IUPAC Name | 2-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol |
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Traditional Name | 2-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol |
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SMILES | C\C(CO)=C/CNC1=C2N=CN(C3OC(CO)C(O)C(O)C3O)C2=NC=N1 |
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InChI Identifier | InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+ |
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InChI Key | VYRAJOITMBSQSE-KRXBUXKQSA-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
- Azole
- Heteroaromatic compound
- Imidazole
- Secondary alcohol
- Azacycle
- Secondary amine
- Polyol
- Organoheterocyclic compound
- Oxacycle
- Primary alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Alcohol
- Organopnictogen compound
- Organonitrogen compound
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0mb9-5239000000-128f4574776087627a0b | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive | splash10-0zfr-1151159000-1eb35f31bd4fd27e5e3d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-1096000000-319d51660b2739efa9c8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uk9-2290000000-94c3eb1139ad0a41500b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fl9-9560000000-ee5228b62b9043912d5e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00lr-0089000000-4d48704d152e078a59a9 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0090000000-3793dcfc9505fc827456 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-1930000000-530373c21190b451775d | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0041369 |
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FooDB ID | FDB021294 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | 24785327 |
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ChEBI ID | Not Available |
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PubChem Compound ID | 131753125 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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