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Entry |
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Classification |
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Carotenoid Name
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3,4-Dehydrorhodopin;
3,4-Didehydrorhodopin
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IUPAC name |
3,4-Didehydro-1,2-dihydro-psi,psi-caroten-1-ol
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Formula |
C40H56O
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Molecular Weight |
552.848 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: CA01212, CA00122, CA00071, CA00983, CA00149, CA00150, CA00217, CA00231, CA00232, CA00199, CA00198, CA00247, CA00302, CA00304, CA00371, CA00321, CA00322, CA00372, CA00396, CA00398, CA00397, CA00593, CA00595, CA00591, CA00613, CA00594, CA00592, CA00628, CA00629, CA00760
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
13.364
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
20.230 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Major in purple nonsulfur bacterium Rhodopseudomonas species (Ref.720).
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Minor carotenoid information |
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Source organisms |
Rhodopseudomonas palustris (Ref.336, Ref.344) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Bradyrhizobiaceae)Rhodobacter capsulatus (Ref.353) - Alphaproteobacteria: photosynthetic purple nonsulfur bacterium (Alphaproteobacteria - Rhodobacteraceae)
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References |
Ref.336: Zhang, Tong; Zhu, Rui-yan; Hui, Bo-di; Yang, Bo-yuan, Shipin Kexue (Beijing, China) (2013), 34(21), 283-291., "Lycopene biosynthesis in Rhodopseudomonas palustris".
Ref.344: Zhao, Chun-gui; Fu, Qiao-ming; Zhuo, Min-quan; Yang, Su-ping, Weishengwuxue Tongbao (2014), 41(7), 1448-1455., "The relative polarity and stability of each carotenoid of spirilloxanthin biosynthesis pathway by thin-layer chromatography (TLC)".
Ref.353: Maoka, Takashi; Matsumura, Akihiko; Ito, Yoshihiro; Okuda, Yoko; Mochida, Koichi, Jpn. Kokai Tokkyo Koho (1996), JP 08239658 A 19960917., "Antioxidants of Rhodobacter".
Ref.720: T. Mizoguchi, M. Isaji, J. Harada, H. Tamiaki, Photochemical and Photobiological Sciences 7(4):492-7, May 2008, "Identification of 3,4-didehydrorhodopin as major carotenoid in Rhodopseudomonas species", DOI: 10.1039/b719272j.
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CAS |
6806-83-3
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Links to other DB |
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