1.02010-04-08 22:12:04 UTC2019-11-26 03:12:17 UTCFDB015831Phytoene7,7',8,8',11,11',12,12'-octahydro-Carotene is a carotenoid found in human fluids.; Carotenoids are isoprenoid molecules that are widespread in nature and are typically seen as pigments in fruits, flowers, birds and crustacea. Animals are unable to synthesise carotenoids de novo, and rely upon the diet as a source of these compounds. Over recent years there has been considerable interest in dietary carotenoids with respect to their potential in alleviating age-related diseases in humans. This attention has been mirrored by significant advances in cloning most of the carotenoid genes and in the genetic manipulation of crop plants with the intention of increasing levels in the diet. Studies have shown an inverse relationship between the consumption of certain fruits and vegetables and the risk of epithelial cancer. Since carotenoids are among the micronutrients found in cancer preventive foods, detailed qualitative and quantitative determination of these compounds, particularly in fruits and vegetables and in human plasma, have recently become increasingly important. (PMID: 1416048, 15003396)(6e,10e,14e,16e,18e,22e,26e)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene(all-e)-Phytoene7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene7,7',8,8',11,11',12,12'-Octahydro-y,y-caroteneall-trans-7,7',8,8',11,11',12,12'-Octahydro-lycopeneall-trans-PhytoenePhytoenetrans-PhytoeneC40H64544.9362544.500802048(6Z,10Z,14E,16E,18E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene(6Z,10Z,14E,16E,18E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene540-04-5CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)CInChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27-,38-28-,39-29-,40-30+YVLPJIGOMTXXLP-COJWMZADSA-N belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.CarotenesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTetraterpenoidsAliphatic acyclic compoundsAcyclic olefinsBranched unsaturated hydrocarbonsUnsaturated aliphatic hydrocarbonsAcyclic olefinAliphatic acyclic compoundBranched unsaturated hydrocarbonCaroteneHydrocarbonOlefinUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonSolidlogp9.60logs-6.23solubility3.17e-04 g/llogp13.38iupac(6Z,10Z,14E,16E,18E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaeneaverage_mass544.9362mono_mass544.500802048smilesCC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)CformulaC40H64inchiInChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27-,38-28-,39-29-,40-30+inchikeyYVLPJIGOMTXXLP-COJWMZADSA-Npolar_surface_area0refractivity193.34polarizability72.01rotatable_bond_count20acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsMs50754Specdb::MsMs50755Specdb::MsMs50756Specdb::MsMs150540Specdb::MsMs150541Specdb::MsMs150542Specdb::CMs9737HMDB02181#<Reference:0x0000555674af95e0>#<Reference:0x0000555674af9428>ApricotType 1specificPrunus armeniaca36596Black teaType 1BroccoliType 1specificBrassica oleracea var. italica367740.00.00.0mg/100 gCarrotType 1specificDaucus carota ssp. sativus79200Common grapeType 1specificVitis vinifera29760Fruit juiceType 2specificGarden tomatoType 1specificSolanum lycopersicum4081Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755GrapefruitType 1specificCitrus X paradisi37656Green bell pepperType 1specificCapsicum annuum4072Green teaType 1Herbal teaType 1LettuceType 1specificLactuca sativa42360.00.00.0mg/100 gOrange bell pepperType 1specificCapsicum annuum4072PapayaType 1specificCarica papaya3649PepperType 1specificCapsicum annuum4072Red bell pepperType 1specificCapsicum annuum4072Red teaType 1SaffronType 1specificCrocus sativus82528Sweet orangeType 1specificCitrus sinensis27110.10.10.1mg/100 gSweet potatoType 1specificIpomoea batatas41200.490.490.49mg/100 gTeaType 1specificCamellia sinensis4442WatermelonType 1specificCitrullus lanatus3654Wild carrotType 1specificDaucus carota4039Yellow bell pepperType 1specificCapsicum annuum4072