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Entry
CA00781                                                            
Classification
Carotenoid Name
Renieratene
IUPAC name phi,chi-Carotene
Formula
C40H48
Molecular Weight 
528.784 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15
Number of
conjugated multiple bonds 
15
Isomers 
  • Constitutional isomer: CA00308, CA00770, CA00778
  • Cis/trans isomer: CA00782
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    17.704
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.341
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Chromatiaceae spp. (Ref.148) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Tetya amamensis (Ref.98) - Sea sponge (Porifera - Tethyidae)
    Axinella verrucosa (Ref.100) - Sea sponge (Porifera - Axinellidae)
    Hymeniacidon penicillata (Ref.98) - Sea sponge (Porifera - Hymeniacidonidae)
    References
  • Ref.98: Tanaka, Yoshito; Soejima, Takumi; Katayama, Teruhisa, Nippon Suisan Gakkaishi (1978), 44(11), 1283-5., "Biochemical studies of the carotenoids in porifera. Distribution of the carotenoids in porifera".
  • Ref.100: Parisi, G.; Pierantoni, R.; Porcelli, M., Marine Biology (Berlin, Germany) (1977), 41(2), 191-7., "Pigments of the Porifera: Demospongiae. I. Carotenoids of Axinella verrucosa".
  • Ref.148: Schaeffer, Philippe; Adam, Pierre; Wehrung, Patrick; Albrecht, Pierre, Tetrahedron Letters (1997), 38(48), 8413-8416., "Novel aromatic carotenoid derivatives from sulfur photosynthetic bacteria in sediments".
    • CAS
    550-29-8
    Links to other DB
    KNApSAcK: C00022818
    LipidBank: VCA1154

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