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Entry |
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Classification |
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Carotenoid Name
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3',4'-Dihydromonoanhydrobacterioruberin;
Dihydromonoanhydrobacterioruberin;
DH-BABR
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IUPAC name |
(2S,2'R)-2-(3-Hydroxy-3-methylbutyl)-2'-(3-methylbut-2-enyl)-3,4-didehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
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Formula |
C50H76O3
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Molecular Weight |
725.108 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(2S,2'R), 3,4--H, 1,2+H, 1',2'+H, 1-OH, 1'-OH, psi,psi, 2'-isoprene, 2-isoprene-3-OH
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Biological functions/Properties |
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Number of
conjugated double bonds |
12
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Number of
conjugated multiple bonds |
12
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
14.665
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
53
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TPSA
(Topological Polar Surface Area) |
60.690 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
Haloarcula japonica (Ref.621) - Archaea: Euryarchaeota, triangular, disc-shaped, extremely halophilic archaeon that requires high concentrations of NaCl for growth (Euryarchaeota - Halobacteriaceae)
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References |
Ref.621: Ying Yang, Rie Yatsunami, Ai Ando, Nobuhiro Miyoko, Toshiaki Fukui, Shinichi Takaichi, Satoshi Nakamura, "Complete Biosynthetic Pathway of the C50 Carotenoid Bacterioruberin from Lycopene in the Extremely Halophilic Archaeon Haloarcula japonica", Journal of Bacteriology, May 2015 Volume 197 Number 9.
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CAS |
165675-35-4
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Links to other DB |
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