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Carotenoids DB          Carotenoids DB: CA00285   
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Entry
CA00285                                                            
Classification
Carotenoid Name
Citranaxanthin
IUPAC name 5',6'-Dihydro-5'-apo-18'-nor-beta,psi-caroten-6'-one
Formula
C33H44O
Molecular Weight 
456.682 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one ketone (11 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
10.770
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.077
Number of heavy atoms
34
TPSA
(Topological Polar Surface Area) 
17.070 Å2
Reaction
  • Product: CR00404
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Gallus gallus (Ref.219) - Bird: chicken (Chordata - Phasianidae)
    References
  • Ref.267: Henry Yokoyama , Michael J. White, J. Org. Chem., 1965, 30 (7), pp 2481–2482 DOI: 10.1021/jo01018a521, "Citrus Carotenoids. II. The Structure of Citranaxanthin, a New Carotenoid Ketone".
  • Ref.219: Brulc, Lucka; Simonovska, Breda; Vovk, Irena; Glavnik, Vesna, Journal of Chromatography A (2013), 1318, 134-141. "Determination of egg yolk xanthophylls by isocratic high-performance liquid chromatography".
    • CAS
    3604-90-8
    Links to other DB
    KNApSAcK: C00023104

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