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(6Z,10Z,12E,14E,16E,18E,20Z,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene

PubChem CID: 131752097

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Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Inchi Key BIWLELKAFXRPDE-ZKZMNQNVSA-N
Rotatable Bond Count 18.0
State Solid
Substituent Name Carotene, Acyclic olefin, Olefin, Hydrocarbon, Aliphatic acyclic compound
Synonyms (6e,10Z,12e,14e,16e,18e,20e,22Z,26e)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene, (9-cis,9'-cis)-7,7',8,8'-tetrahydro-psi,psi-carotene, 9-cis,9'-cis-7,8,7',8'-tetrahydro-psi,psi-carotene, 9,9'-Di-cis-Z-carotene, 9,9'-di-cis-zeta-carotene, 9,9'-Di-cis-ζ-carotene, psi,psi-Carotene, 7,7',8,8'-tetrahydro-, (9-cis,9'-cis)-, Zeta carotene, zeta-Carotene, 2,2-(Nitrosoimino) bisethanol, 2,2'-(Nitrosoimino)bis-ethanol, 2,2'-(Nitrosoimino)bisethanol, 2,2'-(nitrosoimino)diethanol, 2,2'-Dihydroxy-N-nitroso-diethylamine, 2,2'-dihydroxy-N-nitrosodiethylamine, 2,2'-Iminodi-N-nitrosoethanol, 2,2'-iminodi(N-nitrosoethanol), 2,2'-Nitrosiminodi-ethanol, 2,2'-nitrosiminodiethanol, 2,6,10,14,19,23,27,31-Octamethyl-2,6,10,12,14,16,18,20,22,26,30-dotriacontaundecaene, 7,7',8,8'-Tetrahydro-y,y-carotene, Bis(beta-hydroxyaethyl)nitrosamin, Bis(beta-hydroxyethyl)nitrosamine, Di-(2-hydroxyethyl)-nitrosamine, Diaethanolnitrosamin, Dietha nolnitrosamine, Diethanolnitrosamine, Diethanolnitrosoamine, Diethylamine, 2,2'-dihydroxy-N-nitroso-, Ethanol, 2,2'-(nitrosoimino)bis-, Ethanol, 2,2'-nitrosiminodi-, Ethanol, n-nitrosoiminodi-, N-nitrosoaminodiethanol, N-Nitrosobis(2-hydroxyethyl)amine, N-nitrosodiaethanolamin, N-nitrosodiethanolamine, N-Nitrosoiminodi-ethanol, N-nitrosoiminodiethanol, N,n-diethanolnitrosamine, Ndela, Nitrosodiethanolamine, Nitrosoimino diethanol, Nitrosoiminodiethanol, z-Carotene
Heavy Atom Count 40.0
Compound Name (6Z,10Z,12E,14E,16E,18E,20Z,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
Kingdom Organic compounds
Description Isolated from cherry tomato Lycopersicon esculentum variety `Tangella' (9-cis,9'-cis)-7,7',8,8'-tetrahydro-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)
Exact Mass 540.47
Formal Charge 0.0
Monoisotopic Mass 540.47
Isotope Atom Count 0.0
Molecular Complexity 967.0
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 540.9
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name (6Z,10Z,12E,14E,16E,18E,20Z,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 9.0
Class Prenol lipids
Inchi InChI=1S/C40H60/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/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15-,26-16+,35-21+,36-22+,37-27-,38-28-,39-29+,40-30-
Smiles CC(=CCC/C(=C\CC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C/C=C(\C)/CC/C=C(/C)\CCC=C(C)C)\C)/C)/C)C
Xlogp 15.5
Superclass Lipids and lipid-like molecules
Defined Bond Stereocenter Count 9.0
Subclass Tetraterpenoids
Molecular Formula C40H60

  • 1. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Crocus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Source_db:fooddb_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Vaccinium Macrocarpon (Plant) Rel Props:Source_db:fooddb_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
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