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Carotenoids DB          Carotenoids DB: CA01147   
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Entry
CA01147                                                            
Classification
Carotenoid Name
3,4-Didehydro-acycloretinal
IUPAC name 15-Apo-3,4-didehydro-psi-caroten-15-al
Formula
C20H26O
Molecular Weight 
282.408 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 in cluding an aldehyde (8 in total)
Number of
conjugated multiple bonds 
8 in cluding an aldehyde (8 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
6.219
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.000
Number of heavy atoms
21
TPSA
(Topological Polar Surface Area) 
17.070 Å2
Reaction
  • Product: CR00031
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS

    Links to other DB

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