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Entry
CA00659                                                            
Classification
Carotenoid Name
Tilefishxanthin II
IUPAC name 3,2'-Dihydroxy-beta,epsilon-caroten-4-one
Formula
C40H54O3
Molecular Weight 
582.832 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
10.161
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.309
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
57.530 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Branchiostegus japonicus  - Bony fish: horsehead tilefish (Chordata - Malacanthidae)
References

CAS
70858-56-9
Links to other DB

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