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Carotenoids DB          Carotenoids DB: CA00012   
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Entry
CA00012                                                            
Classification
Carotenoid Name
4-Hydroxy-4,4'-diaponeurosporene
IUPAC name 7',8'-Dihydro-4,4'-diapo-psi,psi-caroten-4-ol
Formula
C30H42O
Molecular Weight 
418.636 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: CA01009, CA01144, CA01145, CA00826
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.103
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    31
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Streptococcus faecium UNH 564P (Ref.70, Ref.71) - Firmicutes - Bacilli (Firmicutes - Streptococcaceae)
    References
  • Ref.70: Davies, Brian H.; Taylor, Richard F., Canadian Journal of Biochemistry (1982), 60(6), 684-92., "The biosynthesis of triterpenoid carotenoids in Streptococcus faecium UNH 564P".
  • Ref.71: Taylor, Richard F.; Davies, Brian H., Biochemical Journal (1976), 153(2), 233-9., "Triterpenoid carotenoids and related lipids. Triterpenoid carotenoid aldehydes from Streptococcus faecium UNH 564P".
    • CAS
    53872-56-3
    Links to other DB
    KNApSAcK: C00023138
    LipidBank: VCA1200
    ProCarDB: C0822

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