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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
3',4'-Didehydro-1',2'-dihydro-beta,psi-carotene-3,1'-diol
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Formula |
C40H56O2
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Molecular Weight |
568.848 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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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 |
Constitutional isomer: CA01213, CA00140, CA00078, CA00079, CA00164, CA00207, CA00208, CA00204, CA00218, CA00233, CA00234, CA00206, CA00249, CA00248, CA00261, CA00373, CA00374, CA00327, CA00326, CA00375, CA00328, CA00329, CA00330, CA00331, CA00399, CA00435, CA00402, CA00401, CA00400, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA00692, CA00691, CA00689, CA00686, CA00687, CA00685, CA00682, CA00690, CA00683, CA00684, CA00688, CA01228, CA00737
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
11.353
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
2
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| Complexity of molecule |
0.061
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
40.460 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 |
Saprospira grandis (Ref.161) - Bacteroidetes (Bacteroidetes - Saprospiraceae)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.161: Aasen, Arne J.; Jensen, Synnove Liaaen, Acta Chemica Scandinavica (1966), 20(3), 811-19., "Carotenoids of flexibacteria. II. A new xanthophyll from Saprospira grandis".
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 |
10153-99-8
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Links to other DB |
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