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Entry
CA01131                                                            

Classification
Carotenoid Name
(9Z)-Lycopene
IUPAC name (9Z)-psi,psi-Carotene
Formula
C40H56
Molecular Weight 
536.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Non enzymatically isomerized from all-trans-lycopene (Ref.541).
  • Number of
    conjugated double bonds 
    11
    Number of
    conjugated multiple bonds 
    11
    Isomers 
  • Cis/trans isomer: CA00043, CA01130, CA01132, CA00044
  • Constitutional isomer: CA00311
  • InChI
    InChI=1S/C40H56/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/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30+
    InChIKey
    OAIJSZIZWZSQBC-CBEQXLMWSA-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(\C=C\C=C(\CCC=C(C)C)/C)/C
    XLogP
    14.586
    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

    References
  • Ref.541 : Jürgen Breitenbach, Gerhard Sandmann, Planta, March 2005, Volume 220, Issue 5, pp 785-793, "ζ-Carotene cis isomers as products and substrates in the plant poly-cis carotenoid biosynthetic pathway to lycopene".
  • CAS

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