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Carotenoids DB          Carotenoids DB: CA00013   
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Entry
CA00013                                                            
Classification
Carotenoid Name
4,4'-Diapolycopenedial;
4,4'-diapolycopen-4,4'-dial
IUPAC name 4,4'-Diapo-psi,psi-carotene-4,4'-dial
Formula
C30H36O2
Molecular Weight 
428.588 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Dark-reddish purple color (Ref.535).
    • Number of
    conjugated double bonds 
    13
    Number of
    conjugated multiple bonds 
    13
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.194
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    34.140 Å2
    Reaction
  • Substrate: CR00222,  CR00224
  • Product: CR00007,  CR00008
    • Pathway
  • Pathway: CB000001
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Methylobacterium rhodinum -formerly Pseudomonas rhodos (Ref.66) - Alphaproteobacteria (Alphaproteobacteria - Methylobacteriaceae)
    References
  • Ref.66: Kleinig, Hans; Schmitt, Ruediger, Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1982), 37C(9), 758-60., "On the biosynthesis of C30 carotenoic acid glucosyl esters in Pseudomonas rhodos. Analysis of car-​mutants".
  • Ref.535: Tao L, Schenzle A, Odom JM, Cheng Q., Appl Environ Microbiol. 2005 Jun;71(6):3294-301., "Novel carotenoid oxidase involved in biosynthesis of 4,4'-diapolycopene dialdehyde.".
    • CAS
    5056-18-8
    Links to other DB
    KEGG COMPOUND: C19798
    KNApSAcK: C00023142
    LipidBank: VCA1195
    ProCarDB: C1843

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