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Entry
CA01128                                                            

Classification
Carotenoid Name
Asymmetric 9Z-ζ-carotene;
Asymmetric 9-cis-ζ-carotene;
Asymmetric 9-cis-zeta-carotene
IUPAC name (9Z)-7,8,11,12-Tetrahydro-psi,psi-carotene
Formula
C40H60
Molecular Weight 
540.88 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7
Number of
conjugated multiple bonds 
7
Isomers 
  • Cis/trans isomer: CA00050
  • 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/h11-12,15,17,19-22,25,27-31H,13-14,16,18,23-24,26,32H2,1-10H3/b12-11+,25-15+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30-
    InChIKey
    YTZIWAULTIDEEY-VRIDVZOLSA-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)/CC/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

    References

    CAS

    Links to other DB

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