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Carotenoids DB          Carotenoids DB: CA01216   
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Entry
CA01216                                                            

Classification
Carotenoid Name
3',4'-Dehydro-Rhodopln glucoside ester
IUPAC name 1'-(6-O-acyl-beta-D-Glucopyranosyloxy)-3',4'-didehydro-psi,psi-carotene
Formula
C50H72O7
Molecular Weight 
785.076 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
  • Constitutional isomer: CA00128, CA00244, CA00456
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.389
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.047
    Number of heavy atoms
    57
    TPSA
    (Topological Polar Surface Area) 
    105.450 Å2
    Reaction
    Pathway
  • Pathway: CB000137
  • Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS

    Links to other DB

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