1.0 2016-09-30 23:02:12 UTC 2020-05-21 16:29:06 UTC BMDB0002935 BMDB02935 cis-b,b-Carotene Beta-Carotene, also known as B-carotene, 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. Beta-Carotene is possibly soluble (in water) and possibly neutral. Beta-Carotene exists in all living species, ranging from bacteria to humans. b-Carotene Β-carotene C40H56 536.8726 536.438201792 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9Z,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9Z,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25+,28-26+,31-17-,32-18+,33-21+,34-22+ OENHQHLEOONYIE-KBPBZLIPSA-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 Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Carotene Cyclic olefin Cycloalkene Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Aliphatic homomonocyclic compounds Solid logp 9.72 ALOGPS logs -6.14 ALOGPS logp 11.12 ChemAxon iupac 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9Z,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene ChemAxon average_mass 536.8726 ChemAxon mono_mass 536.438201792 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C ChemAxon formula C40H56 ChemAxon inchi InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25+,28-26+,31-17-,32-18+,33-21+,34-22+ ChemAxon inchikey OENHQHLEOONYIE-KBPBZLIPSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 191.61 ChemAxon polarizability 70.98 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 12805 Specdb::EiMs 1992 Specdb::MsMs 294121 Specdb::MsMs 294122 Specdb::MsMs 294123 Specdb::MsMs 334759 Specdb::MsMs 334760 Specdb::MsMs 334761 Specdb::MsMs 1218142 Specdb::MsMs 1218143 Specdb::MsMs 1218144 Specdb::MsMs 1218145 Specdb::MsMs 1218146 Specdb::NmrTwoD 2021 5927371 Carotene BMDBP01341 Retinoid isomerohydrolase Q28175 RPE65 Enzyme