Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01002   
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Entry
CA01002                                                            
Classification
Carotenoid Name
Apo-14'-zeaxanthinal
IUPAC name (3R)-3-Hydroxy-14'-apo-beta-caroten-14'-al
Formula
C22H30O2
Molecular Weight 
326.46 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7 including one aldehyde (7 in total)
Number of
conjugated multiple bonds 
7 including one aldehyde (7 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
4.944
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
0
Complexity of molecule
0.111
Number of heavy atoms
24
TPSA
(Topological Polar Surface Area) 
37.300 Å2
Reaction
  • Product: CR00427
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Capsicum annuum L. (Ref.380) - Land plant: green pepper (Streptophyta - Solanaceae)
    References
  • Ref.380: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2001), 49(3), 1601-1606., "Isolation of a Series of Apocarotenoids from the Fruits of the Red Paprika Capsicum annuum L.".
    • CAS
    336105-80-7
    Links to other DB
    KNApSAcK: C00022187

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