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Entry
CA00777                                                            
Classification
Carotenoid Name
3,3'-Diethanoyloxyisorenieratene
IUPAC name 3,3'-Diethaynoyloxy-phi,phi-Carotene
Formula
C44H52O4
Molecular Weight 
644.856 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
17
Number of
conjugated multiple bonds 
17
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
14.726
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
2
Complexity of molecule
0.300
Number of heavy atoms
48
TPSA
(Topological Polar Surface Area) 
52.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Brevibacterium linens (Ref.85) - Actinobacteria (Actinobacteria - Brevibacteriaceae)
References
  • Ref.85: Kohl, Werner; Achenbach, Hans; Reichenbach, Hans, Phytochemistry (Elsevier) (1983), 22(1), 207-10., "Investigations on metabolites of microorganisms. Part 24. The pigments of Brevibacterium linens: aromatic carotenoids".
    • CAS
    23394-43-6
    Links to other DB

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