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Entry |
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Classification |
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Carotenoid Name
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2,2'-Dihydroxyastaxanthin
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IUPAC name |
(2R,3S,2'R,3'S)-2,3,2',3'-Tetrahydroxy-beta,beta-carotene-4,4'-dione
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Formula |
C40H52O6
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Molecular Weight |
628.816 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
(2R,3S,2'R,3'S), 2-OH, 3-OH, 2'-OH, 3'-OH, 4=O, 4'=O, beta,beta
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Biological functions/Properties |
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Number of
conjugated double bonds |
13 including two ketones (13 intotal)
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Number of
conjugated multiple bonds |
13 including two ketones (13 intotal)
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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 |
7.650
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Hydrogen Bond donors
(Lipinski's definition) |
4
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
1
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| Complexity of molecule |
0.306
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| Number of heavy atoms |
46
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TPSA
(Topological Polar Surface Area) |
115.060 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Major carotenoid produced by the marine bacteria Brevundimonas scallop (Ref.760).
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Minor carotenoid information |
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Source organisms |
Brevundimonas sp. strain SD212 (Ref.761) - Alphaproteobacteria: nonphototrophic marine bacterium, probably same as Brevundimonas scallop. (Alphaproteobacteria - Caulobacteraceae)Brevundimonas scallop (Ref.760) - Alphaproteobacteria: Marine bacteria produce many bioactive compounds. (Alphaproteobacteria - Caulobacteraceae)
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References |
Ref.761: Yokoyama A, Miki W, Izumida H, Shizuri Y, Biosci Biotechnol Biochem. 1996 Jan;60(2):200-3. doi: 10.1271/bbb.60.200., "New Trihydroxy-keto-carotenoids Isolated from an Astaxanthin-producing Marine Bacterium.".
Ref.760: Hongxing Liu , Chuanxu Zhang , Xinxu Zhang , Karsoon Tan, Hongkuan Zhang, Dewei Cheng, Ting Ye, Shengkang Li, Hongyu Ma, Huaiping Zheng, Food Chemistry 320 (2020) 126629, DOI: 10.1016/j.foodchem.2020.126629, "A novel carotenoids-producing marine bacterium from noble scallop Chlamys nobilis and antioxidant activities of its carotenoid compositions".
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CAS |
72826-80-3
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Links to other DB |
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