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Entry
CA00549                                                            
Classification
Carotenoid Name
Tilefishxanthin III
IUPAC name 2,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
Formula
C40H52O4
Molecular Weight 
596.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including two ketones (13 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
8.579
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
1
Complexity of molecule
0.312
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
74.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

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

CAS
70858-54-7
Links to other DB

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