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Entry
CA00299                                                            

Classification
Carotenoid Name
α-Zeacarotene;
alpha-Zeacarotene
IUPAC name (6R)-7',8'-Dihydro-epsilon,psi-carotene
Formula
C40H58
Molecular Weight 
538.864 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Provitamin A (Ref.463).
  • Number of
    conjugated double bonds 
    8
    Number of
    conjugated multiple bonds 
    8
    Isomers 
  • Constitutional isomer: CA00046, CA00047, CA00193, CA00194, CA00306, CA00317, CA00313
  • InChI
    InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
    InChIKey
    IGABZIVJSNQMPZ-DWQNOKSTSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@H]1C(=CCCC1(C)C)C)/C)/C)/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
    XLogP
    15.155
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.061
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Ipomoea batatas Lam. (Ref.295) - Land plant: sweet potato
    References
  • 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.463 : E.N. Petzold, F.W. Quackenbush, Marilyn McQuistan, Archives of Biochemistry and Biophysics Volume 82, Issue 1, May 1959, Pages 117-124, "Zeacarotenes, new provitamins A from corn".
  • CAS
    50657-19-7
    Links to other DB
    LipidBank: VCA1117

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