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Carotenoids DB          Carotenoids DB: CA00571   
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Entry
CA00571                                                            

Classification
Carotenoid Name
Hurghadin
IUPAC name (3R,3'R)-3,3'-Dihydroxy-2,2'-dinor-beta,beta-carotene-4,4'-dione
Formula
C38H48O4
Molecular Weight 
568.764 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including two ketones (13 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
  • Enantiomer: CA00572
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.136
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    1
    Complexity of molecule
    0.311
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    74.600 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Hexabranchus sanguineus (Ref.220) - Gastropod: Spanish dancer (Mollusca - Hexabranchidae)
    References
  • Ref.220: Guo, Yuewei; Gavagnin, Margherita; Mollo, Ernesto; Trivellone, Enrico; Cimino, Guido, Tetrahedron Letters (1998), 39(17), 2635-2638., "Structure of the pigment of the Red Sea nudibranch Hexabranchus sanguineus".
  • CAS
    69686-22-2, 207410-14-8
    Links to other DB
    KNApSAcK: C00023159

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