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Carotenoids DB          Carotenoids DB: CA00335   
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Entry
CA00335                                                            

Classification
Carotenoid Name
(4R)-4-Hydroxyalloxanthin
IUPAC name (3S,4R,3'R)-7,8,7',8'-Tetradehydro-beta,beta-carotene-3,4,3'-triol
Formula
C40H52O3
Molecular Weight 
580.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7
Number of
conjugated multiple bonds 
7
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
9.739
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.316
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
60.690 Å2
Reaction
  • Substrate: CR00147,  CR00242
  • Product: CR00193
  • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    117604-72-5
    Links to other DB
    KNApSAcK: C00022907
    LipidBank: VCA0069

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