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Entry
CA00535                                                            

Classification
Carotenoid Name
19'-Hydroxyfucoxanthin (19'-butanoate)
IUPAC name 19'-Butanoyloxy-5,6-epoxy-3'-ethanoyloxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
Formula
C47H66O8
Molecular Weight 
758.998 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone (9 in total)
Number of
conjugated multiple bonds 
9 including one ketone (9 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
10.622
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
8
LipinskiFailures
2
Complexity of molecule
0.256
Number of heavy atoms
55
TPSA
(Topological Polar Surface Area) 
122.660 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Phaeocystis sp. (Ref.31) - Alga: Haptophyte ((Haptophyceae) - Phaeocystaceae)
References
  • Ref.31: R. Berger, and S. Liaaen-Jensen, Biochemical Systematics and Ecology, 1977, Vol. 5, pp.71-75 "Carotenoids of Prymnesiophyceae (Haptophyceae)* ".
  • CAS
    -
    Links to other DB
    LipidBank: VCA0057

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