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Entry
CA00329                                                            

Classification
Carotenoid Name
Meso-Zeaxanthin
IUPAC name (3R,3'S)-beta,beta-Carotene-3,3'-diol
Formula
C40H56O2
Molecular Weight 
568.848 g/mol
Structure      Search similar carotenoids

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)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+
InChIKey
JKQXZKUSFCKOGQ-YOPUJPICSA-N
Canonical SMILES
O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)C[C@@H](CC1(C)C)O)\C)\C)/C)/C)C
XLogP
10.564
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
Homo sapiens (Ref.196) - Mammal: Human
References
  • Ref.196 : Bhosale P, Zhao da Y, Serban B, Bernstein PS., Invest Ophthalmol Vis Sci. 2007 Apr;48(4):1435-40., "Identification of 3-methoxyzeaxanthin as a novel age-related carotenoid metabolite in the human macula.".
  • CAS
    31272-50-1
    Links to other DB
    LipidBank: VCA0011

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