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Entry
CA00343                                                            

Classification
Carotenoid Name
3,4,4'-Trihydroxypirardixanthin
IUPAC name (3S,4R,5S,6S,4'S,5S',6'S)-5,6,5',6'-Tetrahydro-beta,beta-carotene-3,4,4'-triol
Formula
C40H60O3
Molecular Weight 
588.88 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.940
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.291
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
60.690 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms

References

CAS
98502-73-9
Links to other DB
KNApSAcK: C00022913

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