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Entry
CA00053                                                            

Classification
Carotenoid Name
(9Z,15Z,9'Z)-ζ-Carotene;
9,15,9'-tri-cis-ζ-Carotene;
9,15,9'-tri-cis-zeta-Carotene;
9,15,9'-tricis-zeta-Carotene
IUPAC name (9Z,15Z,9'Z)-7,8,7',8'-Tetrahydro-psi,psi-carotene
Formula
C40H60
Molecular Weight 
542.896 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7
Number of
conjugated multiple bonds 
7
Isomers 
  • Cis/trans isomer: CA00051, CA00065, CA00163
  • 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-
    InChIKey
    BIWLELKAFXRPDE-LMARSQGMSA-N
    Canonical SMILES
    C/C(=C\C=C/C=C(/C=C/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)\C)/C=C/C=C(\CC/C=C(/CCC=C(C)C)\C)/C
    XLogP
    14.670
    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
    Boronia megastigma (Ref.297) - Land plant: brown boronia
    Zea mays (Ref.437) - Land plant: corn
    References
  • Ref.297 : Cooper, Chris M.; Davies, Noel W.; Menary, Robert C., Journal of Agricultural and Food Chemistry (2009), 57(4), 1513-1520., "Changes in Some Carotenoids and Apocarotenoids during Flower Development in Boronia megastigma (Nees)".
  • Ref.437 : Faqiang Li, Christina Murillo and Eleanore T. Wurtzel, Plant Physiology June 2007 vol. 144 no. 2 1181-1189, doi: http:/​/​dx.​doi.​org/​10.​1104/​pp.​107.​098996, "Maize Y9 Encodes a Product Essential for 15-cis-ζ-Carotene Isomerization".
  • CAS
    99436-59-6
    Links to other DB
    KEGG COMPOUND: C19764

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