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Carotenoids DB          Carotenoids DB: CA00318   
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Entry
CA00318                                                            
Classification
Carotenoid Name
η-Carotene;
Tetrahydro-β-carotene;
eta-Carotene;
Tetrahydro-beta-carotene
IUPAC name 7,8,7',8'-Tetrahydro-beta,beta-carotene
Formula
C40H60
Molecular Weight 
540.88 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 
  • Constitutional isomer: CA00049, CA00048, CA00051, CA00050, CA00195, CA00300
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.158
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.300
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Citrus paradisi  - Land plant: grapefruit (Streptophyta - Rutaceae)
    Citrus sinensis L. Osbeck (Ref.373) - Land plant: orange (Streptophyta - Rutaceae)
    References
  • Ref.373: Kudritskaya, S. E.; Fishman, G. M.; Zagorodskaya, L. M., Subtropicheskie Kul'tury (1977), (5-6), 154-8., "Identification of orange peel (Citrus sinensis Osb.) carotenoids".
    • CAS
    40772-88-1
    Links to other DB
    KNApSAcK: C00023215
    LipidBank: VCA1051

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