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Carotenoids DB          Carotenoids DB: CA00387   
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Entry
CA00387                                                            
Classification
Carotenoid Name
Thermocryptoxanthin-15;
Cryptoxanthin glucoside ester
IUPAC name (3R)-3-[(6-O-12-Methyltridecanoyl-b-D-glucopyranosyl)oxy]-beta,beta-carotene
Formula
C61H94O7
Molecular Weight 
939.362 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
18.872
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.228
Number of heavy atoms
68
TPSA
(Topological Polar Surface Area) 
105.450 Å2
Reaction
  • Substrate: CR00189
  • Product: CR00314
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Thermus thermophilus (Ref.435) - Deinococcus-Thermus: Thermophilic bacterium (Deinococci - Thermaceae)
    References
  • Ref.435: Yokoyama A, Shizuri Y, Hoshino T, Sandmann G., Arch Microbiol. 1996 May 22;165(5):342-5., "Thermocryptoxanthins: novel intermediates in the carotenoid biosynthetic pathway of Thermus thermophilus".
    • CAS
    173355-96-9
    Links to other DB
    KEGG COMPOUND: C15955

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