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Carotenoids DB          Carotenoids DB: CA00124   
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Entry
CA00124                                                            
Classification
Carotenoid Name
Anhydrorhodovibrin
IUPAC name 1-Methoxy-3,4-didehydro-1,2-dihydro-psi,psi-carotene
Formula
C41H58O
Molecular Weight 
566.874 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
  • Constitutional isomer: CA00200
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.883
    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
  • Substrate: CR00352
  • Product: CR00326,  CR00332
    • Pathway
  • Pathway: CB000016,  CB000017,  CB000021,  CB000047,  CB000141,  CB000142
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rhodopseudomonas palustris (Ref.344) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Bradyrhizobiaceae)
    Rhodospirillum rubrum (Ref.337) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodospirillaceae)
    Erythrobacter longus (Ref.364) - Alphaproteobacteria: marine anoxygenic phototroph with BChl a (Alphaproteobacteria - Erythrobacteraceae)
    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.344: Zhao, Chun-gui; Fu, Qiao-ming; Zhuo, Min-quan; Yang, Su-ping, Weishengwuxue Tongbao (2014), 41(7), 1448-1455., "The relative polarity and stability of each carotenoid of spirilloxanthin biosynthesis pathway by thin-layer chromatography (TLC)".
  • Ref.364: S. Takaichi, K. Shimada, and J. Ishidsu, Arch Microbiol.(1990) 153:118-122, "Carotenoids from the aerobic photosynthetic bacterium, Erythrobacter longus: β-Carotene and its hydroxyl derivatives".
    • CAS
    5085-16-5
    Links to other DB
    KEGG COMPOUND: C15877
    KNApSAcK: C00022852
    LipidBank: VCA1053
    MassBank: CA000144
    ProCarDB: C1918

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