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Carotenoids DB          Carotenoids DB: CA00179   
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Entry
CA00179                                                            

Classification
Carotenoid Name
2,2'-Diketospirilloxanthin;
2,2'-dioxospirilloxanthin;
Rhodoviolascin-2,2'-dione;
P 518
IUPAC name 1,1'-Dimethoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-2,2'-dione
Formula
C42H56O4
Molecular Weight 
624.868 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15 including two ketones (15 in total)
Number of
conjugated multiple bonds 
15 including two ketones (15 in total)
Isomers 
  • Constitutional isomer: CA00515
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.602
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    46
    TPSA
    (Topological Polar Surface Area) 
    52.600 Å2
    Reaction
  • Product: CR00251,  CR00253
  • Pathway
  • Pathway: CB000047,  CB000050
  • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rhodobacter sphaeroides (Ref.343) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodobacteraceae)
    References
  • Ref.343: Niedzwiedzki, Dariusz M.; Dilbeck, Preston L.; Tang, Qun; Mothersole, David J.; Martin, Elizabeth C.; Bocian, David F.; Holten, Dewey; Hunter, C. Neil, Niedzwiedzki, Dariusz M.; Dilbeck, Preston L.; Tang, Qun; Mothersole, David J.; Martin, Elizabeth C.; Bocian, David F.; Holten, Dewey; Hunter, C. Neil, "Functional characteristics of spirilloxanthin and keto-bearing Analogues in light-harvesting LH2 complexes from Rhodobacter sphaeroides with a genetically modified carotenoid synthesis pathway".
  • CAS
    1185-31-5, 24009-17-4
    Links to other DB
    KEGG COMPOUND: C15885
    KNApSAcK: C00023064
    LipidBank: VCA1072
    ProCarDB: C0401

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