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Carotenoids DB          Carotenoids DB: CA00655   
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Entry
CA00655                                                            
Classification
Carotenoid Name
Phoenicopterone;
(6'R)-α-Echinenone;
4-Oxo-α-carotene;
4-keto-α-Carotene;
(6'R)-alpha-Echinenone;
4-Oxo-alpha-carotene;
4-keto-alpha-Carotene
IUPAC name beta,epsilon-Caroten-4-one
Formula
C40H54O
Molecular Weight 
550.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one ketone (11 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
13.214
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.316
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area) 
17.070 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Corbicula clams (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
Corbicula sandai (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
Marine crinoi  - Crinoid (Echinodermata - Unclassified Echinodermata)
Phoenicoparrus ruber (Ref.474) - Bird: American flamingo (Chordata - Phoenicopteridae)
References
  • Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
  • Ref.471: Denis L Fox, Thomas S Hopkins, Comparative Biochemistry and Physiology, Volume 17, Issue 3, March 1966, Pages 841–856, "Comparative metabolic fractionation of carotenoids in three flamingo species".
  • Ref.474: Denis L Fox, James W McBeth, Gordon Mackinney, Comparative Biochemistry and Physiology, Volume 36, Issue 2, 15 September 1970, Pages 253–262, "Some dietary carotenoids and blood-carotenoid levels in flamingos—II. γ-carotene and α-carotene consumed by the American flamingo".
    • CAS
    3297-23-2
    Links to other DB
    LipidBank: VCA0079
    MassBank: CA000054

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