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Carotenoids DB          Carotenoids DB: CA00741   
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Entry
CA00741                                                            
Classification
Carotenoid Name
Mytiloxanthin
IUPAC name (3R,3'S,5'R)-3,3',8'-Trihydroxy-7,8,-didehydro-beta,kappa-caroten-6'-one
Formula
C40H54O4
Molecular Weight 
598.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Red color (Ref.589).
  • UV-VIS: 294 and 469 nm (Ref.589).
    • Number of
    conjugated double bonds 
    9 including one ketone (9 in total)
    Number of
    conjugated multiple bonds 
    11 including one ketone (11 in total)
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.144
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    1
    Complexity of molecule
    0.306
    Number of heavy atoms
    44
    TPSA
    (Topological Polar Surface Area) 
    77.760 Å2
    Reaction
  • Substrate: CR00151
  • Product: CR00142
    • Pathway
  • Pathway: CB000070
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Mytilus edulis (Ref.259) - Shellfish: bivalve (Mollusca - Mytilidae)
    Fusinus perplexus (Ref.442) - Shellfish: univalve shell (Mollusca - Fasciolariidae)
    References
  • Ref.259: A. Khare, G.P. Moss, B.C.L. Weedon, Tetrahedron Letters Volume 14, Issue 40, 1973, Pages 3921-3924, "Mytiloxanthin and isomytiloxanthin, two novel acetylenic carotenoids".
  • Ref.589: Takashi MAOKA and Yasuhiro FUJIWARA, J. Jpn. Oil Chem. Soc. Vol. 45, No. 7 (1996), "Absolute Configurations of Mytiloxanthin and 9-E-Mytiloxanthin" .
  • Ref.442: Kiyoshi Katagiri, Takashi Maoka, Takao Matsuno, COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY. B, COMPARATIVE BIOCHEMISTRY, 84(4):473-476 ยท JANUARY 1986, "Carotenoids of shell fishes-VIII. Comparative biochemical studies of carotenoids in three species of spindleshell, Fusinus perplexus, F.p. ferrugineus and F. forceps".
    • CAS
    50906-61-1
    Links to other DB
    KNApSAcK: C00023023
    LipidBank: VCA0008
    MassBank: CA000080

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