Entry |
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Classification |
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Carotenoid Name
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3'-Hydroxyechinenone; (3'R)-3'-Hydroxyechinenone; Asteroidenone
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IUPAC name |
(3'R)-3'-Hydroxy-beta,beta-caroten-4-one
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Formula |
C40H54O2
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Molecular Weight |
566.832 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 including one ketone (12 in total)
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Number of conjugated multiple bonds |
12 including one ketone (12 in total)
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Isomers |
Constitutional isomer: CA00184, CA00250, CA00252, CA00257, CA00203, CA00258, CA00259, CA00270, CA00260, CA00324, CA00325, CA00478, CA00473, CA00477, CA00474, CA00476, CA00472, CA00541, CA00542, CA00596, CA01234, CA00633, CA00657, CA00635, CA00679, CA01097, CA00700, CA00696, CA00699, CA00694, CA00695, CA00736
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
10.676
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Hydrogen Bond donors (Lipinski's definition) |
1
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Hydrogen Bond Acceptors (Lipinski's definition) |
2
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LipinskiFailures |
1
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Complexity of molecule |
0.312
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Number of heavy atoms |
42
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TPSA (Topological Polar Surface Area) |
37.300 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Major carotenoid in Synechocystis sp. PCC 6803 (Ref.732).
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Minor carotenoid information |
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Source organisms |
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References |
Ref.3: T. K. Holt and D. W. Krogmann, Biochimica et Biophysica Acta, 637 (1981) 408-414 "A carotenoid-protein from cyanobacteria". Ref.19: Merete Grunga, Pierre Metzger, Synnove Liaaen-jensen, Biochemical Systematics and Ecology, Volume 17, Issue 4, 28 July 1989, Pages 263–269 "Primary and Secondary Carotenoids in Two Races of the Green Alga Botryocossu braunii". Ref.732: S. Takaichia and M. Mochimaru, Cell. Mol. Life Sci. 64 (2007) 2607 – 2619, "Carotenoids and carotenogenesis in cyanobacteria: unique ketocarotenoids and carotenoid glycosides", DOI 10.1007/s00018-007-7190-z.
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CAS |
4481-36-1
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Links to other DB |
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