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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2R,2'R)-2'-(3-Methylbut-2-enyl)-2-(3-methyl-1,3-peroxybutyl)-3,4-didehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
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Formula |
C50H74O4
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Molecular Weight |
739.092 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
(2R,2'R), 3,4--H, 1,2+H, 1',2'+H, 1-OH, 1'-OH, psi,psi, 2'-isoprene, 2-isoprene-peroxy
( Help )
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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 |
14.779
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
2
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| Complexity of molecule |
0.039
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| Number of heavy atoms |
54
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TPSA
(Topological Polar Surface Area) |
58.920 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 |
166197-35-9
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Links to other DB |
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