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Entry
CA00964                                                            

Classification
Carotenoid Name
Oscillol 2,2'-difucoside;
(2S,2'S)-Oscillol 2,2'-di-(alpha-L-fucoside)
IUPAC name 2,2'-Di-(alpha-L-Fucosyloxy)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Formula
C52H76O12
Molecular Weight 
893.128 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00127, CA00945, CA00384
  • InChI
    InChI=1S/C52H76O12/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-41(51(9,10)59)63-49-47(57)45(55)43(53)39(7)61-49)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-42(52(11,12)60)64-50-48(58)46(56)44(54)40(8)62-50/h13-32,39-50,53-60H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,50-/m0/s1
    InChIKey
    ZYYNEJWFGGVJQZ-ASFDWNNCSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\[C@@H](C(O)(C)C)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H](C(O)(C)C)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)\C)\C
    XLogP
    9.382
    Hydrogen Bond donors
    (Lipinski's definition)
    8
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    12
    LipinskiFailures
    4
    Complexity of molecule
    0.300
    Number of heavy atoms
    64
    TPSA
    (Topological Polar Surface Area) 
    198.760 Å2
    Source organisms
    Gloeobacter violaceus PCC 7421 (Ref.266) - Cyanobacteria: rod-shape unicellular cyanobacterium, diverged very early during the evolution of cyanobacteria
    References
  • Ref.266 : Tsuchiya T, Takaichi S, Misawa N, Maoka T, Miyashita H, Mimuro M., FEBS Lett. 2005 Apr 11;579(10):2125-9., "The cyanobacterium Gloeobacter violaceus PCC 7421 uses bacterial-type phytoene desaturase in carotenoid biosynthesis.".
  • CAS
    -
    Links to other DB
    KEGG COMPOUND: C16275
    ProCarDB: C1710

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