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Entry |
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Classification |
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Carotenoid Name
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3"-Hydroxy-2'-isopentylsaproxanthin
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IUPAC name |
(3R,2'S)-2'-(3-hydroxy-3-methylbutyl)-3',4'-didehydro-1',2'-dihydro-beta,psi-carotene-3,1'-diol
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Formula |
C45H66O3
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Molecular Weight |
654.978 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
(3R,2'S), 3',4'--H, 1',2'+H, 3-OH, 1'-OH, 3-OH, beta,psi, 2'-isoprene-3-OH
( Help )
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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 |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.107
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
2
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| Complexity of molecule |
0.053
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| Number of heavy atoms |
48
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TPSA
(Topological Polar Surface Area) |
60.690 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 |
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References |
Ref.160: Naoki Takatania, Tomoo Sawabea, Takashi Maokab, Kazuo Miyashitaa, Masashi Hosokawa, Biocatalysis and Agricultural Biotechnology (2015), "Structure of a novel monocyclic carotenoid, 3″-hydroxy-2′-isopentenylsaproxanthin ((3R,2′S)-2′-(3-hydroxy-3-methylbutyl)-3′, 4′-didehydro-1′, 2′-dihydro-β, ψ-carotene-3, 1′-diol), from a flavobacterium Gillisia limnaea strain DSM 15749".
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CAS |
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Links to other DB |
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