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Entry
CA00550                                                            

Classification
Carotenoid Name
Astaxanthin
IUPAC name 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
Formula
C40H52O4
Molecular Weight 
596.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including one ketone (13 in total)
Number of
conjugated multiple bonds 
13 including one ketone (13 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
9.696
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
1
Complexity of molecule
0.312
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
74.600 Å2
Reaction
  • Substrate: CR00471,  CR00472,  CR00473,  CR00474
  • Pathway
    Major carotenoid information
    Major components found in the gonads of sea cucumbers (Ref.763).
    Minor carotenoid information

    Source organisms
    Cladonia sp. (Ref.609) - Fungi: lichen, ascomycetes (Ascomycota - Cladoniaceae)
    Plesiocolochirus minutus (Ref.763) - sea cucumber (Echinodermata - Cucumariidae)
    References
  • Ref.609: Prof. Dr. B. Czeczuga and Doz. Dr. R. Doll, Journal of Botanical Taxonomy and Geobatany, Volume 102, Issue 5-6, pages 431–436, 1991, DOI: 10.1002/fedr.19911020518, "The carotenoid content of lichens of the Cladonia genus from Mecklenburg".
  • Ref.763: Takashi Maoka, Syu Nakachi, Ryouhei Kobayashi, Miho Mori, Yoshikazu Sakagami, / Tetrahedron Letters 56 (2015) 5954–5955, http://dx.doi.org/10.1016/j.tetlet.2015.09.060, “A new carotenoid, 9Z,9'Z-tetrahydroastaxanthin, from the sea cucumber Plesiocolochirus minutus”.
  • CAS
    472-61-7
    Links to other DB
    KEGG COMPOUND: C08580
    KNApSAcK: C00000918
    LipidBank: VCA0002
    ProCarDB: C1942

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