Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00014   
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Entry
CA00014                                                            
Classification
Carotenoid Name
4,4'-Diapocarotenoic acid
IUPAC name 4,4'-Diapo-psi,psi-caroten-4-oic acid
Formula
C30H38O2
Molecular Weight 
430.604 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: CA00830
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.487
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Methylobacterium rhodinum -formerly Pseudomonas rhodos (Ref.73) - Alphaproteobacteria (Alphaproteobacteria - Methylobacteriaceae)
    References
  • Ref.73: Kleinig, Hans; Schmitt, Ruediger; Meister, Walter; Englert, Gerhard; Thommen, Hans, Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1979), 34C(3-4), 181-5., "New C30-​carotenoic acid glucosyl esters from Pseudomonas rhodos".
    • CAS
    70240-65-2
    Links to other DB
    KNApSAcK: C00023143
    LipidBank: VCA1198

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