Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:54:42 -0600 |
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Update Date | 2015-06-03 17:20:46 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol |
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Description | 2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol belongs to the class of Tetraterpenes. These are terpene molecules containing 10 consecutively linked isoprene units. (inferred from compound structure)2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol is invovled in Ubiquinone and other terpenoid-quinone biosynthesis, and Biosynthesis of secondary metabolites. (KEGG) |
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Structure | |
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Synonyms: | - 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol
- 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
- 3-Demethylubiquinol-8
- 3-Methoxy-6-methyl-5-[(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-1,2,4-triol
- OMHMB
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Chemical Formula: | C48H75O4 |
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Weight: | Average: 716.1067 Monoisotopic: 715.566535888 |
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InChI Key: | PQRHUHISITYRPH-WDXILIIOSA-M |
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InChI: | InChI=1S/C48H76O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31,33,45-46,49-51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/p-1/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+ |
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CAS number: | Not Available |
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IUPAC Name: | 3,6-dihydroxy-2-methoxy-5-methyl-4-[(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]cyclohexa-1,4-dien-1-olate |
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Traditional IUPAC Name: | 3,6-dihydroxy-2-methoxy-5-methyl-4-[(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]cyclohexa-1,4-dien-1-olate |
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SMILES: | [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(O)C([O-])=C(OC)C1O)=C(\C)CCC=C(C)C |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as polyterpenoids. These are terpenoids consisting of more than eight isoprene units. |
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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 | Polyterpenoids |
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Direct Parent | Polyterpenoids |
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Alternative Parents | |
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Substituents | - Polyterpenoid
- Secondary alcohol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Organic anion
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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: | -1 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Membrane |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | - ubiquinol-8 biosynthesis (prokaryotic) PWY-6708
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | - Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
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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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