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Entry
CA00962                                                            

Classification
Carotenoid Name
2-Hydroxymyxol-2'-fucoside;
(2R,3R,2'S)-2-hydroxymyxol 2'-fucoside
IUPAC name (2R,3R,2'S)-2'-(alpha-L-Fucosyl)-3',4'-didehydro-1',2'-dihydro-beta,psi-carotene-2,3,1'-triol
Formula
C46H66O8
Molecular Weight 
746.988 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: CA00241, CA01099, CA00213, CA00958
  • InChI
    InChI=1S/C46H66O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)29-38(47)43(51)45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-42(50)41(49)40(48)36(7)53-44/h12-28,36,38-44,47-52H,29H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t36-,38+,39-,40+,41+,42-,43-,44-/m0/s1
    InChIKey
    ZMWZXRUZZKSPPM-LZKPMYRZSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C[C@H]([C@@H](C1(C)C)O)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
    8.739
    Hydrogen Bond donors
    (Lipinski's definition)
    6
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    8
    LipinskiFailures
    3
    Complexity of molecule
    0.300
    Number of heavy atoms
    54
    TPSA
    (Topological Polar Surface Area) 
    139.840 Å2
    Source organisms
    Thermosynechococcus elongatus strain BP-1 (Ref.250) - Cyanobacteria: hot spring alga
    References
  • Ref.250 : Iwai, Masako; Maoka, Takashi; Ikeuchi, Masahiko; Takaichi, Shinichi, Plant and Cell Physiology (2008), 49(11), 1678-1687., "2,2'-β-hydroxylase (CrtG) is involved in carotenogenesis of both nostoxanthin and 2-hydroxymyxol 2'-fucoside in Thermosynechococcus elongatus strain BP-1".
  • CAS
    -
    Links to other DB

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