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Entry
CA00031                                                            
Classification
Carotenoid Name
4,4-(D-Glucopyranosyloxy)-4,4'-diapolycopene-4,4'-dioic acid diester
IUPAC name 4.4'-(D-Glucopyranosyloxy)-7',8'-dihydro-4,4'-diapo-psi,psi-carotene-4.4'-dioic acid-diester
Formula
C48H66O16
Molecular Weight 
899.008 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including two ketones (10 in total)
Number of
conjugated multiple bonds 
10 including two ketones (10 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
6.590
Hydrogen Bond donors
(Lipinski's definition)
6
Hydrogen Bond Acceptors
(Lipinski's definition)
16
LipinskiFailures
4
Complexity of molecule
0.292
Number of heavy atoms
64
TPSA
(Topological Polar Surface Area) 
245.040 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Methylobacterium rhodinum -formerly Pseudomonas rhodos (Ref.133) - Alphaproteobacteria (Alphaproteobacteria - Methylobacteriaceae)
References
  • Ref.133: Richard, F. Taylor, Microbiological Reviews, Spet. 1984, pp. 181-198, "Bacterial Triterpenoids".
    • CAS
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