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Carotenoids DB          Carotenoids DB: CA00086   
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Entry
CA00086                                                            
Classification
Carotenoid Name
3,4-Dihydrospheroidene;
Methoxyneurosporene
IUPAC name 1-Methoxy-1,2,7',8'-tetrahydro-psi,psi-carotene
Formula
C41H62O
Molecular Weight 
570.906 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Constitutional isomer: CA00087
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.039
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    9.230 Å2
    Reaction
  • Product: CR00329
    • Pathway
  • Pathway: CB000023
    • Major carotenoid information
    Major carotenoid in Rhodobacter sphaeroides (Ref.740).
    Minor carotenoid information

    Source organisms
    Rhodospirillum rubrum (Ref.337) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodospirillaceae)
    References
  • Ref.337: H.C. Malhotra, G. Britton, T.W. Goodwin, Phytochemistry, Volume 9, Issue 11, November 1970, Pages 2369–2375, "The mono- and dimethoxy-carotenoids of diphenylamine-inhibited cultures of rhodospirillum rubrum".
  • Ref.740: Chih-Chiang Wang el al., Food & Nutrition Research 2016, 60: 29580 - "Extract from a mutant Rhodobacter sphaeroides as an enriched carotenoid source", http://dx.doi.org/10.3402/fnr.v60.29580.
    • CAS
    29753-50-2
    Links to other DB
    KEGG COMPOUND: C15895
    KNApSAcK: C00000928
    LipidBank: VCA1067
    MassBank: CA000131

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