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Entry
CA00396                                                            
Classification
Carotenoid Name
β-Carotene 5,6-epoxide;
β-Carotene 5,6-monoepoxide;
beta-Carotene 5,6-epoxide;
beta-Carotene 5,6-monoepoxide
IUPAC name 5,6-Epoxy-5,6-dihydro-beta,beta-carotene
Formula
C40H56O
Molecular Weight 
552.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Provitamin A (Ref.566).
    • Number of
    conjugated double bonds 
    10
    Number of
    conjugated multiple bonds 
    10
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.879
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.320
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    12.530 Å2
    Reaction
  • Substrate: CR00162
  • Product: CR00157
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Hymenomonas carterae (Ref.31) - Alga: Haptophyte ((Haptophyceae) - Hymenomonadaceae)
    Pavlova lutheri (Ref.31) - Alga: Haptophyte ((Haptophyceae) - Pavlovaceae)
    Ipomoea batatas Lam. (Ref.295) - Land plant: sweet potato (Streptophyta - Convolvulaceae)
    Carica papaya (Ref.566) - Land plant: papaya (Streptophyta - Caricaceae)
    Solorina crocea (Ref.374) - Fungi: lichen (Ascomycota - Peltigeraceae)
    References
  • Ref.31: R. Berger, and S. Liaaen-Jensen, Biochemical Systematics and Ecology, 1977, Vol. 5, pp.71-75 "Carotenoids of Prymnesiophyceae (Haptophyceae)* ".
  • Ref.295: Ligia B. Almeida, Marilene V.C. Penteado, Journal of Food Composition and Analysis, Volume 1, Issue 4, November 1988, Pages 341–352, "Carotenoids and pro-vitamin A value of white fleshed Brazilian sweet potatoes (Ipomoea batatas Lam.)".
  • Ref.374: Czeczuga, Bazyli; Olech, Maria, Phyton (Horn, Austria) (1990), 30(2), 235-45., "Investigations on carotenoids in lichens. XXV. Studies of carotenoids in lichens from Spitsbergen".
  • Ref.566: U Gamage Chandrika, Errol R Jansz, SMD Nalinie Wickramasinghe and Narada D Warnasuriya, J Sci Food Agric 83:1279–1282 (online: 2003), DOI: 10.1002/jsfa.1533, "Carotenoids in yellow- and red-fleshed papaya (Carica papaya L)".
    • CAS
    1923-89-3
    Links to other DB
    KNApSAcK: C00003767
    LipidBank: VCA1172

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