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Entry
CA00567                                                            

Classification
Carotenoid Name
Mutatoxanthin pyropheophorbide A ester
IUPAC name (3S,5R,8RS,3'R)-3'-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate]-5,8-Epoxy-5,8-dihydro-beta,beta-carotene-3,3'-diol
Formula
C73H88N4O5
Molecular Weight 
1101.474 g/mol
Structure      Search similar carotenoids

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

InChIKey

Canonical SMILES

XLogP
14.199
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
9
LipinskiFailures
2
Complexity of molecule
0.359
Number of heavy atoms
82
TPSA
(Topological Polar Surface Area) 
130.190 Å2
Reaction
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
    1311381-87-9
    Links to other DB

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