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Entry
CA00104                                                            
Classification
Carotenoid Name
Methoxyhydroxylycopene glucoside
IUPAC name 1-(beta-D-Glucopyranosyloxy)-1'-methoxy-1,2,1',2'-tetrahydro-psi,psi-carotene
Formula
C47H72O7
Molecular Weight 
749.046 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.781
Hydrogen Bond donors
(Lipinski's definition)
4
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.048
Number of heavy atoms
54
TPSA
(Topological Polar Surface Area) 
108.610 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Halorhodospira abdelmalekii (Ref.326) - purple sulfur bacteria (Gammaproteobacteria - Ectothiorhodospiraceae)
Halorhodospira halochloris (Ref.326) - purple sulfur bacteria (Gammaproteobacteria - Ectothiorhodospiraceae)
References
  • Ref.326: Shinichi Takaichi, Takashi Maoka, Satoshi Hanada, Johannes F. Imhoff, Archives of Microbiology, March 2001, Volume 175, Issue 3, pp 161-167, "Dihydroxylycopene diglucoside diesters: a novel class of carotenoids from the phototrophic purple sulfur bacteria Halorhodospira abdelmalekii and Halorhodospira halochloris".
    • CAS
    345908-78-3
    Links to other DB
    KNApSAcK: C00022899

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