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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S,3'R)-7',8'-Didehydro-5,6-dihydro-beta,beta-carotene-3,5,6,3'-tetrol
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Formula |
C40H56O4
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Molecular Weight |
600.848 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
(3S,5R,6S,3'R), 7',8'--H, 5,6+H, 3-OH, 5-OH, 6-OH, 3'-OH, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
8
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Number of
conjugated multiple bonds |
10
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Isomers |
Constitutional isomer: CA00137, CA01092, CA01100, CA01101, CA00350, CA00347, CA00979, CA01093, CA01094, CA00349, CA00346, CA00415, CA00439, CA00440, CA00419, CA00441, CA00442, CA00443, CA00444, CA00445, CA00414, CA00421, CA00420, CA00417, CA00418, CA00416, CA00555, CA00584, CA00626, CA00631, CA00647, CA00648, CA00701, CA00746, CA00745, CA00744, CA00747, CA00743, CA00785
Conformer: CA00348
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.141
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Hydrogen Bond donors
(Lipinski's definition) |
4
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
1
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| Complexity of molecule |
0.300
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| Number of heavy atoms |
44
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TPSA
(Topological Polar Surface Area) |
80.920 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.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
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CAS |
64023-28-5
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Links to other DB |
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