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Entry
CA00022                                                            
Classification
Carotenoid Name
β-D-glucosyl 4,4'-diaponeurosporenoic acid;
beta-D-glucosyl 4,4'-diaponeurosporenoic acid;
Glycosyl-4,4'-diaponeurosporenoate
IUPAC name 4,4'-Diapo-4-(beta-D-Glucopyranosyloxy)-7',8'-dihydro-psi,psi-carotene-4-oic acid-ester
Formula
C36H50O7
Molecular Weight 
594.76 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone (10 intotal)
Number of
conjugated multiple bonds 
10 including one ketone (10 intotal)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
8.223
Hydrogen Bond donors
(Lipinski's definition)
4
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.065
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
116.450 Å2
Reaction
  • Substrate: CR00289
  • Product: CR00307
    • Pathway
  • Pathway: CB000003
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Staphylococcus aureus (Ref.192, Ref.75, Ref.540) - Firmicutes - Bacilli (Firmicutes - Staphylococcaceae)
    References
  • Ref.192: Pelz, Alexandra; Wieland, Karsten-Peter; Putzbach, Karsten; Hentschel, Petra; Albert, Klaus; Goetz, Friedrich, Journal of Biological Chemistry (2005), 280(37), 32493-32498., "Structure and Biosynthesis of Staphyloxanthin from Staphylococcus aureus".
  • Ref.75: Marshall, John H.; Wilmoth, Gregory H., Journal of Bacteriology (1981), 147(3), 900-13., "Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids".
  • Ref.540: Benjamin N. Mijts, Pyung Cheon Lee, Claudia Schmidt-Dannert, Chemistry & Biology, Volume 12, Issue 4, April 2005, Pages 453–460, "Identification of a Carotenoid Oxygenase Synthesizing Acyclic Xanthophylls: Combinatorial Biosynthesis and Directed Evolution".
    • CAS
    -
    Links to other DB
    KEGG COMPOUND: C16147
    ProCarDB: C1648

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