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Carotenoids DB          Carotenoids DB: CA00128   
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Entry
CA00128                                                            
Classification
Carotenoid Name
3,4-Dehydrorhodopin glucoside ester
IUPAC name 1-(6-O-Acyl-beta-D-glucopyranosyloxy)-3,4-didehydro-1,2-dihydro-psi,psi-carotene
Formula
C50H72O7
Molecular Weight 
785.076 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: CA01216, CA00244, CA00456
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.389
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.047
    Number of heavy atoms
    57
    TPSA
    (Topological Polar Surface Area) 
    105.450 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Myxococcus sp. MY-18 (Ref.363) - Deltaproteobacteria: fruiting gliding myxobacterium isoloated from Lake Sediment (Deltaproteobacteria - Myxococcaceae)
    References
  • Ref.363: S. Takaichi, H. Yazawa, and Yoko Yamamoto, Biosci.Biotech.Biochem., 59 (3),464-468,1995, "Carotenoidsof the Fruiting Gliding Myxobacterium, Myxococeus sp. MY-18, Isolated from Lake Sediment: Accumulation of Phyteene and Keto-myxocoxanthin Glucoside Ester".
    • CAS
    -
    Links to other DB
    LipidBank: VCA1189

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