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Entry
CA00589                                                            
Classification
Carotenoid Name
Crocoxanthin
IUPAC name (3R,6'R)-7,8-Didehydro-beta,epsilon-caroten-3-ol
Formula
C40H54O
Molecular Weight 
550.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Presents only in cryptophytes. (Ref.707)
    • Number of
    conjugated double bonds 
    8
    Number of
    conjugated multiple bonds 
    10
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.068
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.316
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Reaction
  • Substrate: CR00196
    • Pathway
    Major carotenoid information

    Minor carotenoid information
    Minor carotenoid in cryptophytes (Ref.707).
    Source organisms
    Cryptomonas ovata (Ref.26) - Alga: Cryptomonad (Cryptophyta - Cryptomonadaceae)
    Cryptomonas sp. (Ref.26) - Alga: Cryptomonad (Cryptophyta - Cryptomonadaceae)
    Hemiselmis virescens (Ref.26) - Alga: Cryptomonad (Cryptophyta - Hemiselmidaceae)
    Chroomonas salina (Ref.26) - Alga: Cryptomonad (Cryptophyta - Chroomonadaceae)
    Rhodomonas D3 (Ref.26) - Alga: Cryptomonad (Cryptophyta - Pyrenomonadaceae)
    Corbicula clams (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula sandai (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Microciona prolifera (Ref.372) - Sea sponge (Porifera - Microcionidae)
    References
  • Ref.26: F. C. Pennington, F. T. Haxo, G. Borch, and Liaaen-Jensen, Biochemical Systematics and Ecology, Vol. 13, No. 3, pp. 215-219, 1985 "Carotenoids of Cryptophyceae".
  • Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
  • Ref.372: Litchfield, Carter; Liaaen-Jensen, Synnoeve, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1980), 66B(3), 359-65., "Animal carotenoids. Part 23. Carotenoids of the marine sponge, Microciona prolifera".
  • Ref.707: Suzanne Roy et al., Phytoplankton Pigments Characterization, Chemotaxonomy and Applications in Oceanography, October 2011, Cambridge University Press, pp 665-674, "Part VII - Data sheets aiding identification of phytoplankton carotenoids and chlorophylls", available at http://www.cambridge.org/gb/files/2013/6697/5826/Data_sheets_part_3_Xanthophylls.pdf, ISBN: 9781107000667.
    • CAS
    21284-10-6
    Links to other DB
    KNApSAcK: C00022836
    MassBank: CA000036

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