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Entry
CA00926                                                            
Classification
Carotenoid Name
Trisanhydrobacterioruberin
IUPAC name 2,2'-Bis(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2-dihydro-psi,psi-caroten-1-ol
Formula
C50H70O
Molecular Weight 
687.06 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14
Number of
conjugated multiple bonds 
14
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
16.807
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
2
Complexity of molecule
0.000
Number of heavy atoms
51
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Halobacterium salinarium (Ref.389) - Archaea: Euryarchaeota (Euryarchaeota - Halobacteriaceae)
Halococcus morrhuae (Ref.389) - Archaea: Euryarchaeota (Euryarchaeota - Halobacteriaceae)
Halobacterium sp.  - Archaea: Euryarchaeota (Euryarchaeota - Halobacteriaceae)
References
  • Ref.389: Mandelli, Fernanda; Miranda, Viviane S.; Rodrigues, Eliseu; Mercadante, Adriana Z., World Journal of Microbiology & Biotechnology (2012), 28(4), 1781-1790., "Identification of carotenoids with high antioxidant capacity produced by extremophile microorganisms".
    • CAS
    30563-23-6
    Links to other DB

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