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Entry |
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Classification |
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Carotenoid Name
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(5S,6R)-β-Carotene 5,6-epoxide;
(5S,6R)-beta-Carotene 5,6-epoxide
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IUPAC name |
(5S,6R)-5,6-Epoxy-5,6-dihydro-beta,beta-carotene
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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 |
10
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Number of
conjugated multiple bonds |
10
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Isomers |
Constitutional isomer: CA01212, CA00070, CA00122, CA00071, CA00983, CA00149, CA00150, CA00217, CA00231, CA00232, CA00199, CA00198, CA00247, CA00302, CA00304, CA00371, CA00321, CA00322, CA00372, 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 |
12.879
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
1
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| Complexity of molecule |
0.320
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
12.530 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 |
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References |
Ref.280: B. Czeczuga, Transactions of the Illinois State Academy of Science. {1992), "Carotenoids in Certain Lichens - in Illinois".
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CAS |
66609-71-0
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Links to other DB |
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