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Entry
CA00066                                                            

Classification
Carotenoid Name
(7Z,9Z,9'Z)-Neurosporene;
7,9,9'-tri-cis-Neurosporene;
7,9,9'-tricis-Neurosporene
IUPAC name (7Z,9Z,9'Z)-7,8-Dihydro-psi,psi-carotene
Formula
C40H58
Molecular Weight 
538.864 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Cis/trans isomer: CA00047, CA01129
  • 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-IFJQPPEWSA-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.296) - Land plant: Solanaceae: tomato
    References
  • Ref.296 : Tal Isaacson, Itzhak Ohad, Peter Beyer and Joseph Hirschberg, Plant Physiology December 2004 vol. 136 no. 4 4246-4255, doi: http:/​/​dx.​doi.​org/​10.​1104/​pp.​104.​052092, "Analysis in Vitro of the Enzyme CRTISO Establishes a Poly-cis-Carotenoid Biosynthesis Pathway in Plants".
  • CAS
    -
    Links to other DB
    KEGG COMPOUND: C19759

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