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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
3,1'-dihydroxy-1,2,3',4'-tetradehydro-1',2'-dihydro-beta,psi-caroten-4-one
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Formula |
C40H52O3
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Molecular Weight |
580.816 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
3-OH, 1'-OH, 4=O, beta,psi, 2,3--H, 1',2'+H, 3',4'--H
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
14 including one ketone (14 in total)
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Number of
conjugated multiple bonds |
14 including one ketone (14 in total)
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Isomers |
Constitutional isomer: CA00335, CA00336, CA00545, CA00486, CA00487, CA00488, CA00546, CA00484, CA00485, CA00544, CA00547, CA00637, CA00658, CA01208, CA00783
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.070
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
2
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| Complexity of molecule |
0.063
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| Number of heavy atoms |
43
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TPSA
(Topological Polar Surface Area) |
57.530 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 |
Rhodopirellula rubra (Ref.755) - A marine genus of bacteria from the family of Planctomycetaceae isolated from the surface of macroalgae (Seaweed) (Planctomycetes - Planctomycetaceae)Rubinisphaera brasiliensis (Ref.755) - A member of the order Planctomycetales, a group of budding mostly aquatic microorganisms lacking peptidoglycan and representing a phylogenetically distinct lineage within the domain Bacteria. Isolated from a water sample of Lagoa Vermelha, a salt pit near Rio de Janeiro, Brasil. (Planctomycetes - Planctomycetaceae)
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References |
Ref.755: Nicolai Kallscheuer, Catia Moreira, Ruth Airs, Carole A. Llewellyn, Sandra Wiegand, Christian Jogler and Olga M. Lage, Environmental Microbiology Reports (2019) 00(00), 00–00, "Pink- and orange-pigmented Planctomycetes produce saproxanthin-type carotenoids including a rare C45 carotenoid", doi:10.1111/1758-2229.12796.
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CAS |
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Links to other DB |
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