Carotenoids obi
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Entry
CA00834                                                            
Classification
Carotenoid Name
Triophaxanthin
IUPAC name (3R)-3-Hydroxy-7,8-didehydro-7',8'-dihydro-7'-apo-beta-caroten-8'-one
Formula
C31H40O2
Molecular Weight 
444.63 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 including one ketone (8 in total)
Number of
conjugated multiple bonds 
10 including one ketone (10 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
7.746
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.082
Number of heavy atoms
33
TPSA
(Topological Polar Surface Area) 
37.300 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Triopha carpenteri (Ref.102) - Gastropod (Mollusca - Triophidae)
References
  • Ref.102: McBeth, James W., Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1972), 41(1), 55-68. , "Carotenoids from nudibranchs".
    • CAS
    198708-10-0
    Links to other DB
    KNApSAcK: C00023108

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