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Carotenoids DB          Carotenoids DB: CA00510   
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Entry
CA00510                                                            

Classification
Carotenoid Name
2-Hydroxyastaxanthin
IUPAC name (2R,3S,3'S)-2,3,3'-Trihydroxy-beta,beta-carotene-4,4'-dione
Formula
C40H52O5
Molecular Weight 
612.816 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 
  • Constitutional isomer: CA01241, CA01242, CA00672, CA00749, CA00756
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.673
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    1
    Complexity of molecule
    0.309
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    94.830 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Brevundimonas sp. strain SD212 (Ref.761) - Alphaproteobacteria: nonphototrophic marine bacterium, probably same as Brevundimonas scallop. (Alphaproteobacteria - Caulobacteraceae)
    References
  • Ref.761: Yokoyama A, Miki W, Izumida H, Shizuri Y, Biosci Biotechnol Biochem. 1996 Jan;60(2):200-3. doi: 10.1271/bbb.60.200., "New Trihydroxy-keto-carotenoids Isolated from an Astaxanthin-producing Marine Bacterium.".
  • CAS
    174206-05-4
    Links to other DB
    LipidBank: VCA1175
    ProCarDB: C0288

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