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Entry
CA00047                                                            

Classification
Carotenoid Name
Neurosporene
IUPAC name 7,8-Dihydro-psi,psi-carotene
Formula
C40H58
Molecular Weight 
538.864 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Constitutional isomer: CA00046, CA00193, CA00194, CA00299, CA00306, CA00317, CA00313
  • Cis/trans isomer: CA01129, CA00066
  • InChI
    InChI=1S/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
    InChIKey
    ATCICVFRSJQYDV-XILUKMICSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
    XLogP
    14.628
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Solanum lycopersicum (Ref.123) - Land plant: Solanaceae: tomato
    Rhodobacter viridis JA737  - Alphaproteobacteria: phototrophic purple non-sulfur bacteria
    Ipomoea batatas Lam. (Ref.295) - Land plant: sweet potato
    Rhodobaca bogoriensis (Ref.339) - Alphaproteobacteria: alkaliphilic purple non-sulfur bacteria from African Rift Valley soda lakes
    Rhodopseudomonas globiformis (Ref.341) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria
    Rubrivivax gelatinosus (Ref.354) - Betaproteobacteria: phototrophic purple nonsulfur bacteria
    Passiflora edulis (Ref.129) - Land plant: yellow passion fruit
    References
  • Ref.123 : Fantini, Elio; Falcone, Giulia; Frusciante, Sarah; Giliberto, Leonardo; Giuliano, Giovanni, Plant Physiology (2013), 163(2), 986-998., "Dissection of tomato lycopene biosynthesis through virus-​induced gene silencing".
  • Ref.295 : Ligia B. Almeida, Marilene V.C. Penteado, Journal of Food Composition and Analysis, Volume 1, Issue 4, November 1988, Pages 341–352, "Carotenoids and pro-vitamin A value of white fleshed Brazilian sweet potatoes (Ipomoea batatas Lam.)".
  • Ref.339 : Takaichi, Shinichi; Jung, Deborah O.; Madigan, Michael T., Photosynthesis Research (2001), 67(3), 207-214., "Accumulation of unusual carotenoids in the spheroidene pathway, demethylspheroidene and demethylspheroidenone, in an alkaliphilic purple nonsulfur bacterium Rhodobaca bogoriensis".
  • Ref.341 : Schmidt, Karin; Liaaen-Jensen, Synnove, Acta Chemica Scandinavica (1947-1973) (1973), 27(8), 3040-52., "acterial carotenoids.  XLII.  New keto carotenoids from Rhodopseudomonas globiformis (Rhodospirillaceae)".
  • Ref.354 : Jirsakova, Vladimira; Reiss-Husson, Francoise; van Dijk, Bas; Owen, Gabrielle; Hoff, Arnold J., Photochemistry and Photobiology (1996), 64(2), 363-368., "Characterization of carotenoid triplet states in the light-harvesting complex B800-850 from the purple bacterium Rubrivivax gelatinosus".
  • Ref.129 : da Silva, Sandra Regina; Mercadante, Adriana Z., Ciencia e Tecnologia de Alimentos (Campinas, Brazil) (2002), 22(3), 254-258., "Carotenoid composition of fresh yellow passion fruit (Passiflora edulis flavicarpa)".
  • CAS
    502-64-7
    Links to other DB
    KEGG COMPOUND: C05431
    KNApSAcK: C00000912
    LipidBank: VCA1004
    ProCarDB: C1937

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