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Entry
CA00538                                                            

Classification
Carotenoid Name
Fucoxanthinol 3'-sulphate
IUPAC name Sodium (3S,5R,6R,3'S,5'R,6'S)-5',6'-epoxy-5,3'-dihydroxy-8-oxo-6,7-didehydro-5,6,5',6',7',8'-hexahydro-beta,beta-caroten-3-yl sulphate
Formula
C40H56O8S.Na
Molecular Weight 
719.908 g/mol
Structure      Search similar carotenoids

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

InChIKey

Canonical SMILES

XLogP
7.837
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
8
LipinskiFailures
2
Complexity of molecule
0.298
Number of heavy atoms
49
TPSA
(Topological Polar Surface Area) 
144.870 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms

References

CAS
213015-32-8, 741657-60-3
Links to other DB
LipidBank: VCA1153

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