Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00961   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00961                                                            

Classification
Carotenoid Name
Myxol 2'-fucoside;
Myxoxanthophyll
IUPAC name (3R,2'S)-2'-(alpha-L-Fucosyl)-3',4'-didehydro-1',2'-dihydro-beta,psi-carotene-3,1'-diol
Formula
C46H66O7
Molecular Weight 
730.988 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
  • Constitutional isomer: CA00103, CA00946, CA00230, CA00212, CA00240, CA00211, CA00269, CA00561
  • InChI
    InChI=1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38+,40-,41+,42+,43-,44-/m0/s1
    InChIKey
    MUCOHWBULSBLLZ-HWEUHJRUSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C[C@H](CC1(C)C)O)/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
    9.973
    Hydrogen Bond donors
    (Lipinski's definition)
    5
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.303
    Number of heavy atoms
    53
    TPSA
    (Topological Polar Surface Area) 
    119.610 Å2
    Source organisms
    Synechococcus sp. PCC 7002 (Ref.248) - Cyanobacteria
    Nostoc commune NIES-24 (Ref.249) - Cyanobacteria
    References
  • Ref.248 : Graham, Joel E.; Bryant, Donald A., Journal of Bacteriology (2009), 191(13), 4485., "The biosynthetic pathway for Myxol-2' fucoside (myxoxanthophyll) in the cyanobacterium Synechococcus sp. strain PCC 7002. [Erratum to document cited in CA151:073014]".
  • Ref.249 : Takaichi, Shinichi; Maoka, Takashi; Mochimaru, Mari, Current Microbiology (2009), 59(4), 413-419., "Unique carotenoids in the terrestrial cyanobacterium Nostoc commune NIES-24: 2-hydroxymyxol 2'-fucoside, nostoxanthin and canthaxanthin".
  • CAS
    863126-98-1
    Links to other DB
    KEGG COMPOUND: C15941
    MassBank: CA000087

       Search other references with Google Scholar