1.02010-04-08 22:10:36 UTC2019-11-26 03:08:09 UTCFDB013229Ubiquinone 9Coenzyme Q9 (CoQ9) is a normal constituent of human plasma. CoQ9 in human plasma may originate as a product of incomplete CoQ10 biosynthesis or from the diet. The estimated dietary CoQ9 intake is 0 to 1.3 umol/day, primarily from cereals and fats, but this is unreliable because many food items contain levels below the detection limit. Plasma CoQ9 increases after supplementation with CoQ10, and CoQ9 and CoQ10 are significantly correlated. (PMID: 17405953). Ubiquinone 9 is found in safflower.(all-e)-2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione2-methyl-3-nonaprenyl-5,6-dimethoxy-1,4-benzoquinone2,3-Dimethoxy-5-methyl-6-[(2e,6e,10e,14e,18e,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]-1,4-benzoquinoneCoenzyme q(9)Coenzyme Q(sub 9)Coenzyme Q9coenzyme-Q9CoQ(sub 9)CoQ9Ubiquinone 45Ubiquinone 9ubiquinone Q-9Ubiquinone Q(sub 9)Ubiquinone Q9Ubiquinone-45Ubiquinone-9ubiquinone(9)C54H82O4795.2265794.6213111122,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22Z,26Z,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22Z,26Z,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione303-97-9COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=OInChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26-,43-28-,44-30+,45-32+,46-34+,47-36+,48-38+UUGXJSBPSRROMU-ZVXXWRBPSA-N belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).UbiquinonesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsQuinone and hydroquinone lipidsAliphatic homomonocyclic compoundsHydrocarbon derivativesOrganic oxidesP-benzoquinonesPolyprenylbenzoquinonesPolyterpenoidsVinylogous estersAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-benzoquinonePolyprenylbenzoquinonePolyterpenoidQuinoneUbiquinone skeletonVinylogous esterSolidlogp9.73logs-6.56solubility2.18e-04 g/lmelting_pointMp 45.2°logp15.5pka_strongest_basic-4.7iupac2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22Z,26Z,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dioneaverage_mass795.2265mono_mass794.621311112smilesCOC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=OformulaC54H82O4inchiInChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26-,43-28-,44-30+,45-32+,46-34+,47-36+,48-38+inchikeyUUGXJSBPSRROMU-ZVXXWRBPSA-Npolar_surface_area52.6refractivity262.8polarizability99.87rotatable_bond_count28acceptor_count4donor_count0physiological_charge0formal_charge0Specdb::MsMs60576Specdb::MsMs60577Specdb::MsMs60578Specdb::MsMs116928Specdb::MsMs116929Specdb::MsMs116930HMDB06707#<Reference:0x00005556734719a8>SafflowerType 1specificCarthamus tinctorius4222