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Carotenoids DB          Carotenoids DB: CA00713   
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Entry
CA00713                                                            

Classification
Carotenoid Name
Hydroxychlorobactene glucoside;
OH-chlorobactene glucoside ester
IUPAC name 1'-Glucosyloxy-1',2'-dihydro-phi,psi-carotene
Formula
C46H64O6
Molecular Weight 
712.972 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: CA00229, CA00558
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.929
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    2
    Complexity of molecule
    0.319
    Number of heavy atoms
    52
    TPSA
    (Topological Polar Surface Area) 
    99.380 Å2
    Reaction
  • Substrate: CR00287
  • Product: CR00300
  • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Chlorobium tepidum (Ref.359) - Green sulfur bacteria (Chlorobi - Chlorobiaceae)
    References
  • Ref.359: S. Takaichi, Zheng-Yu Wang, Mitsuo Umetsu, Tsunenori Nozawa, Keizo Shimada, Michael T. Madigan, Archives of Microbiology, September 1997, Volume 168, Issue 4, pp 270-276, "New carotenoids from the thermophilic green sulfur bacterium Chlorobium tepidum: 1′,2′-dihydro-γ-carotene, 1′,2′-dihydrochlorobactene, and OH-chlorobactene glucoside ester, and the carotenoid composition of different strains".
  • CAS
    -
    Links to other DB
    KEGG COMPOUND: C15914
    LipidBank: VCA1084

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