Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00722   
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Entry
CA00722                                                            
Classification
Carotenoid Name
β-Isorenieratene;
beta-Isorenieratene
IUPAC name beta,phi-Carotene
Formula
C40H52
Molecular Weight 
532.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00068, CA00704, CA00716, CA00319
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    16.219
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.326
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
  • Substrate: CR00154
  • Product: CR00153
    • Pathway
  • Pathway: CB000012
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Chromatiaceae spp. (Ref.148) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Pelochromatium selenoides (Ref.94) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Pelochromatium roseum (Ref.94) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Streptomyces argillaceus (Ref.771) - Actinobacteria (Actinobacteria - Streptomycetaceae)
    References
  • 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".
  • Ref.94: Abella, C. A.; Cristina, X. P.; Martinez, A.; Pibernat, I.; Vila, X., Archives of Microbiology (1998), 169(5), 452-459., "Two new motile phototrophic consortia: "Chlorochromatium lunatum" and "Pelochromatium selenoides".
  • Ref.771: Adriana Becerril et al., PLOS ONE | https://doi.org/10.1371/journal.pone.0198145 May 24, 2018, “Uncovering production of specialized metabolites by Streptomyces argillaceus: Activation of cryptic biosynthesis gene clusters using nutritional and genetic approaches”.
    • CAS
    4382-02-9
    Links to other DB
    KEGG COMPOUND: C16340
    KNApSAcK: C00022804
    LipidBank: VCA1041
    ProCarDB: C0750

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