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Entry
CA00331                                                            

Classification
Carotenoid Name
Isozeaxanthin
IUPAC name beta,beta-Carotene-4,4'-diol
Formula
C40H56O2
Molecular Weight 
568.848 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey
GYZWNQLEQAGWGD-DKLMTRRASA-N
Canonical SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(O)CCC1(C)C)\C
XLogP
10.674
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.306
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
40.460 Å2
Source organisms
Phormidium ectocarpi (Ref.1) - Cyanobacteria
Phormidium percicinum (Ref.1) - Cyanobacteria
Microcoleus paludosus (Ref.1) - Cyanobacteria
Nostoc commune (Ref.1) - Cyanobacteria: star jelly, witch's butter, mare's eggs, fah-tsai and facai, eaten as a salad
Calothrix parietina (Ref.1) - Cyanobacteria: a hair-forming cyanobacteria rom an upland stream
Microcystis aeruginosa (Ref.1) - Cyanobacteria
Merismopedia punctata (Ref.1) - Cyanobacteria: colony square or rectangular
Xipholena punicea (Ref.272) - Bird: pompadour cotinga
Rhacophorus bipunctatus (Ref.421) - Himalaya flying frog
References
  • Ref.1 : S. Hertzberg, S. Liaaen-Jensen, and H. W. Siegelman, Phytochemistry, 1971, Vol. 10, pp. 3121 - 3127 "The carotenois of blue-green algae".
  • Ref.272 : Amy M. LaFountain, Shanti Kaligotla, Shannon Cawley, Ken M. Riedl, Steven J. Schwartz, Harry A. Frank, and Richard O. Prum, Arch Biochem Biophys. 2010 Dec 1; 504(1): 10.1016/j.abb.2010.08.006., doi: 10.1016/j.abb.2010.08.006, "Novel methoxy-carotenoids from the burgundy-colored plumage of the Pompadour Cotinga Xipholena punicea".
  • Ref.421 : Pinky Baruah and Goswami UC., Journal of Research in Biology, pp.114-118, 2012, Vol.2, No.2, "Characterization of carotenoid pigments in amphibian, Rhacophorous bipunctatus".
  • CAS
    29065-03-0
    Links to other DB
    KNApSAcK: C00022868
    MassBank: CA000153

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