1.0 2016-09-30 22:52:13 UTC 2020-04-22 15:10:03 UTC BMDB0002181 BMDB02181 Phytoene (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 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene (all-e)-Phytoene all-trans-7,7',8,8',11,11',12,12'-Octahydro-lycopene all-trans-Phytoene trans-Phytoene (all-e) Phytoene 7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotene 7,7’,8,8’,11,11’,12,12’-octahydro-ψ,ψ-carotene C40H64 544.9362 544.500802048 (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 phytoene 540-04-5 CC(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)C InChI=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-KEKOKYSKSA-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. Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Carotenes Acyclic olefins Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic olefin Aliphatic acyclic compound Branched unsaturated hydrocarbon Carotene Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Aliphatic acyclic compounds C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Carotenoids phytoene Solid logp 9.60 ALOGPS logs -6.23 ALOGPS logp 13.38 ChemAxon iupac (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 ChemAxon average_mass 544.9362 ChemAxon mono_mass 544.500802048 ChemAxon smiles CC(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)C ChemAxon formula C40H64 ChemAxon inchi InChI=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+ ChemAxon inchikey YVLPJIGOMTXXLP-KEKOKYSKSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 193.34 ChemAxon polarizability 74.95 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 26110 Specdb::MsMs 323857 Specdb::MsMs 323858 Specdb::MsMs 323859 Specdb::MsMs 372121 Specdb::MsMs 372122 Specdb::MsMs 372123 Specdb::MsMs 2463510 Specdb::MsMs 2463511 Specdb::MsMs 2463512 Specdb::MsMs 2501438 Specdb::MsMs 2501439 Specdb::MsMs 2501440 4444344 FDB030667 C05413 5280784 8191 C00000905 PHYTOENE Phytoene