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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120418 |
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Identification |
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| Name: |
linustatin |
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| Description: | Not Available |
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Structure |
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| Synonyms: | - propanenitrile
- [2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylpropiononitrile)]
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Chemical Formula: |
C16H27NO11 |
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| Average Molecular Weight: |
409.389 |
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| Monoisotopic Molecular
Weight: |
409.15842 |
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| InChI Key: |
FERSMFQBWVBKQK-CXTTVELOSA-N |
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| InChI: | InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. |
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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 |
Cyanogenic glycosides |
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| Alternative Parents |
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| Substituents |
- Cyanogenic glycoside
- Disaccharide
- O-glycosyl compound
- Oxane
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Nitrile
- Carbonitrile
- Primary alcohol
- Organonitrogen compound
- Cyanide
- Organopnictogen compound
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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