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Entry |
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Classification |
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Carotenoid Name
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Hydroxyspheroidenone;
Spheroidenonol;
1',2'-dihydro-1'-hydroxy-spheroidenone
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IUPAC name |
1'-Hydroxy-1-methoxy-3,4-didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-2-one
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Formula |
C41H60O3
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Molecular Weight |
600.89 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
3,4--H, 1,2+H, 1',2'+H, 7',8'+H, 1'-OH, 1-Methoxy, 2=O, psi,psi
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
11 including one ketone (11 in total)
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Number of
conjugated multiple bonds |
11 including one ketone (11 in total)
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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 |
11.528
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
44
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TPSA
(Topological Polar Surface Area) |
46.530 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 |
Rubrivivax gelatinosus (Ref.354) - Betaproteobacteria: phototrophic purple nonsulfur bacteria (Betaproteobacteria - Unclassified Burkholderiales)Rhodopseudomonas gelatinosa (Ref.342) - Betaproteobacteria: purple nonsulfur bacteria (Betaproteobacteria - Unclassified Burkholderiales)Rhodopseudomonas spheroides (Ref.342) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Bradyrhizobiaceae)Rhodopseudomonas palustris (Ref.344) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Bradyrhizobiaceae)
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References |
Ref.342: Jackman, L. M.; Jensen, S. Liaaen, Acta Chemica Scandinavica (1403-1411)(1964), Pages: 1403-1411, "Bacterial Carotenoids. XV. On the Constitution of the Minor Carotenoids of Rhodopseudomonas. 5. The Structures of P518 (2,2'-Diketo-spirilloxanthin), OH-R (OH-Spheroidenone), and OH-Y (OH-Spheroidene).".
Ref.354: Jirsakova, Vladimira; Reiss-Husson, Francoise; van Dijk, Bas; Owen, Gabrielle; Hoff, Arnold J., Photochemistry and Photobiology (1996), 64(2), 363-368., "Characterization of carotenoid triplet states in the light-harvesting complex B800-850 from the purple bacterium Rubrivivax gelatinosus".
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)".
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CAS |
1119-39-7
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Links to other DB |
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