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Entry
CA00563                                                            

Classification
Carotenoid Name
Astaxanthin diester
IUPAC name 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione-3,3'-diester
Formula
C48H64O6
Molecular Weight 
736.992 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 
InChI

InChIKey

Canonical SMILES

XLogP
11.962
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
6
LipinskiFailures
2
Complexity of molecule
0.254
Number of heavy atoms
54
TPSA
(Topological Polar Surface Area) 
86.740 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Ettlia carotinosa (Ref.16) - Green alga: Chlamydomonadales (Chlorophyta - Chlamydomonadales)
Protosiphon botryoides (Ref.16, Ref.17) - Green alga: Chlamydomonadales (Chlorophyta - Chlamydomonadales)
Chlorella zofingiensis (Ref.16) - Green alga: Scenedesmaceae (Chlorophyta - Chromochloridaceae)
Neochloris wimmeri  - Green alga: Scenedesmaceae (Chlorophyta - Neochloridaceae)
Scotiellopsis oocystiformis (Ref.16) - Green alga: Scenedesmaceae (Chlorophyta - Scenedesmaceae)
Scenedesmus vacuolatus (Ref.16) - Green alga: Scenedesmaceae (Chlorophyta - Scenedesmaceae)
Euglena sanguinea (Ref.43) - Alga: Euglena (Euglenida - Euglenaceae)
Tovellia sanguinea (Ref.34) - Alga: Dinoflagellate ((Alveolata) - Tovelliaceae)
References
  • Ref.16: M. Orosa, E. Torres, P. Fidalgo, J. Abalde, Journal of Applied Phycology, October 2000, Volume 12, Issue 3-5, pp 553-556 "Production and analysis of secondary carotenoids in green algae".
  • Ref.17: H. Kleinig and F. C. Czygan (1969), Z Naturforsch B. 1969 Jul;24(7):927-30. "Lipids of Protosiphon (Chlorophyta) Carotenoids and Carotenoid Esters of five Strains of Protosiphon botryoides Klebs" .
  • Ref.34: R. Frassanito G. Flaim, I. Mancini, G. Guella, Biochemical Systematics and Ecology 34 (2006) pp.843-853, "High production of unexpected carotenoids in Dinophyceae. Astaxanthin esters from freshwater dinoflagellate Tovellia sanguinea".
  • Ref.43: Merte grung et.al, S. Liaaen-Jensen, Biochemical Systematics and Ecology, Vol. 21, No. 8, pp. 757-763, 1993 "Algal Carotenoids52*; Secondary carotenoids of Algae 3; Carotenoids in natural bloom of Euglena sanguinea".
  • CAS
    622836-60-6
    Links to other DB
    LipidBank: VCA1132

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