Carotenoids obi
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Entry
CA00696                                                            

Classification
Carotenoid Name
(6R,3'R,6'R)-3-Dehydrolactucaxanthin
IUPAC name (6R,3'R,6'R)-3'-Hydroxy-epsilon,epsilon-caroten-3-one
Formula
C40H54O2
Molecular Weight 
566.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 and 2 including one ketone (11 in total)
Number of
conjugated multiple bonds 
9 and 2 including one ketone (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.729
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.312
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
37.300 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Thunnus obesus (Ref.367) - Bony fish: bigeye tuna (Chordata - Scombridae)
Gallus gallus (Ref.309) - Bird: chicken (Chordata - Phasianidae)
References
  • Ref.309: Matsuno, Takao; Hirono, Toshihiko; Ikuno, Yoshihiro; Maoka, Takashi; Shimizu, Minoru; Komori, Tadaaki, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1986), 84B(4), 477-81., "Isolation of three new carotenoids and proposed metabolic pathways of carotenoids in hen's egg yolk".
  • Ref.367: Ikuno, Yoshihiro; Matsuno, Takao, Nippon Suisan Gakkaishi (1987), 53(10), 1893-6., "Carotenoids and their metabolism in big-eye tuna Thunnus obesus".
  • CAS
    102679-34-5
    Links to other DB

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