Carotenoids obi
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Entry
CA00539                                                            

Classification
Carotenoid Name
Fucoxanthin pyropheophorbide A ester
IUPAC name (3S,5R,6S,3'S,5'R,6'R)-3'-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate]-5,6-Epoxy-3'-ethanoyloxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
Formula
C75H90N4O8
Molecular Weight 
1175.51 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 and 12 including one ketone (21 in total)
Number of
conjugated multiple bonds 
9 and 12 (21 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
15.563
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
12
LipinskiFailures
3
Complexity of molecule
0.345
Number of heavy atoms
87
TPSA
(Topological Polar Surface Area) 
176.860 Å2
Reaction
  • Product: CR00467
  • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Haliotis diversicolor aquatilis (Ref.157) - Shellfish: Abalone (Mollusca - Haliotoidea)
    References
  • Ref.157: Maoka, Takashi; Etoh, Tetsuji; Akimoto, Naoshige; Yasui, Hiroyuki, Tetrahedron Letters (2011), Volume52 Issue23 Pages3012-3015, DOI:10.1016/j.tetlet.2011.03.14, "Novel carotenoid pyropheophorbide A esters from abalone".
  • CAS
    171882-97-6
    Links to other DB

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