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Entry
CA00949                                                            

Classification
Carotenoid Name
Actinioerythrin
IUPAC name 3,3'-Bisacyloxy-2,2'-dinor-beta,beta-carotene-4,4'-dione
Formula

Molecular Weight 

Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15 including two ketones(15 in total)
Number of
conjugated multiple bonds 
15 including two ketones(15 in total)
Isomers 
InChI

InChIKey

Canonical SMILES
*OC(=O)[C@@H]1C(=O)C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)C(=O)[C@H](C1(C)C)C(=O)O*)\C)\C)/C)/C)C
XLogP
8.680
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
6
LipinskiFailures
2
Complexity of molecule
0.583
Number of heavy atoms
48
TPSA
(Topological Polar Surface Area) 
86.740 Å2
Source organisms
Mullus barbatus L. (Ref.199) - Bony fish: red mullet
Actinia equina (Ref.254) - Sea anemone
References
  • Ref.199 : Czygan, Franz C.; Krueger, Almuth, Zeitschrift fuer Naturforschung, C:  Journal of Biosciences (1982), 37C(3-4), 340-1., "Determination of actinioerythrin in red sea mullet Mullus barbatus L. (Pisces; Teleostei; Mullidae)".
  • Ref.254 : Hertzberg, Sissel; Liaaen-Jensen, Synnoeve; Enzell, Curt R.; Francis, George W., Acta Chemica Scandinavica (1947-1973) (1969), 23(10), 3290-312., "Animal carotenoids.  3.  Carotenoids of Actinia equina; structure determination of actinioerythrin and violerythrin".
  • CAS
    69020-32-2
    Links to other DB

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