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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(9Z,2S,2'S)-2,2'-Bis-(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetrahydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
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Formula |
C50H76O4
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Molecular Weight |
741.108 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'S), 9Z, 3,4+H, 3',4'+H, 1-OH, 1'-OH, psi,psi, 2-isoprene-3-OH, 2'-isoprene-3-OH
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Biological functions/Properties |
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Number of
conjugated double bonds |
13
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Number of
conjugated multiple bonds |
13
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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 |
13.650
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Hydrogen Bond donors
(Lipinski's definition) |
4
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
54
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TPSA
(Topological Polar Surface Area) |
80.920 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 |
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References |
Ref.387: Strand, Aase; Shivaji, Sisinthy; Liaaen-Jensen, Synnove, Biochemical Systematics and Ecology (1997), 25(6), 547-552., "Bacterial carotenoids 55. C50-carotenoids 25. Revised structures of carotenoids associated with membranes in psychrotrophic Micrococcus roseus".
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CAS |
146235-19-0
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Links to other DB |
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