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 | PAMDB110446 |
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Identification |
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Name: |
ubiquinol-8 |
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Description: | A ubiquinol in which the polyprenyl substituent is octaprenyl. |
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Structure |
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Synonyms: | |
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Chemical Formula: |
C49H76O4
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Average Molecular Weight: |
729.14 |
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Monoisotopic Molecular
Weight: |
728.574360928 |
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InChI Key: |
LOJUQFSPYHMHEO-SGHXUWJISA-N |
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InChI: |
InChI=1S/C49H76O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34,50-51H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+ |
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CAS
number: |
56275-39-9 |
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IUPAC Name: | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,4-diol |
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Traditional IUPAC Name: |
reduced ubiquinone |
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SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)=C(OC)C(OC)=C(O)C(C)=1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as polyprenyl quinols. These are compounds containing a polyisoprene chain attached to a quinol(hydroquinone) at the second ring position. |
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Kingdom |
Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class |
Prenol lipids |
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Sub Class | Quinone and hydroquinone lipids |
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Direct Parent |
Polyprenyl quinols |
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Alternative Parents |
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Substituents |
- Tetraterpenoid
- 2-polyprenyl-6-methoxyphenol
- Polyprenylbenzoquinol
- Polyprenylphenol
- Ubiquinol skeleton
- Methoxyphenol
- O-dimethoxybenzene
- Dimethoxybenzene
- Anisole
- Hydroquinone
- M-cresol
- Phenoxy compound
- O-cresol
- Phenol ether
- Methoxybenzene
- Alkyl aryl ether
- Phenol
- Toluene
- Monocyclic benzene moiety
- Benzenoid
- Ether
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework |
Aromatic homomonocyclic compounds |
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External Descriptors |
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Physical Properties |
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State: |
Solid |
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Charge: | 0 |
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Melting point: |
Not Available |
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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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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
- Mitochondrial Electron Transport Chain pae00190
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Spectra |
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Spectra: |
Spectrum Type | Description | Splash Key | |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0212123900-73a2eccad4e0cbe4395d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000t-0558791000-d8aab750f6f0b06f8aec | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-2346792000-adcd3425e589e189faa4 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0000000900-9826a54f653e9710bcd6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01t9-0000019800-029f962feb9d2e2603b4 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03e9-3000039400-06bbf6b9d509f84c9611 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0212123900-73a2eccad4e0cbe4395d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000t-0558791000-d8aab750f6f0b06f8aec | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-2346792000-adcd3425e589e189faa4 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0000000900-9826a54f653e9710bcd6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01t9-0000019800-029f962feb9d2e2603b4 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03e9-3000039400-06bbf6b9d509f84c9611 | View in MoNA |
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References |
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References: |
- Pastore A, Giovamberardino GD, Bertini E, Tozzi G, Gaeta LM, Federici G, Piemonte F: Simultaneous determination of ubiquinol and ubiquinone in skeletal muscle of pediatric patients. Anal Biochem. 2005 Jul 15;342(2):352-5. Epub 2005 Mar 7. [15989930 ]
- Maneiro E, Lopez-Armada MJ, de Andres MC, Carames B, Martin MA, Bonilla A, Del Hoyo P, Galdo F, Arenas J, Blanco FJ: Effect of nitric oxide on mitochondrial respiratory activity of human articular chondrocytes. Ann Rheum Dis. 2005 Mar;64(3):388-95. [15708893 ]
- Nohl H, Gille L, Staniek K: Intracellular generation of reactive oxygen species by mitochondria. Biochem Pharmacol. 2005 Mar 1;69(5):719-23. Epub 2005 Jan 20. [15710349 ]
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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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