Entry |
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Classification |
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Carotenoid Name
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(3S,4R,3'S,4'R)-Crustaxanthin
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IUPAC name |
(3S,4R,3'S,4'R)-beta,beta-Carotene-3,4,3',4'-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 |
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Biological functions/Properties |
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Number of conjugated double bonds |
11
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Number of conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA00137, CA01092, CA01100, CA01101, CA00350, CA00348, CA00349, CA00346, CA00965, 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: CA01093, CA01094
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.050
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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)". Ref.440: B. Bjerkeng, B. Hatlen, M. Jobling, Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology Volume 125, Issue 3, March 2000, Pages 395–404 "Astaxanthin and its metabolites idoxanthin and crustaxanthin in flesh, skin, and gonads of sexually immature and maturing Arctic charr (Salvelinus alpinus (L.))".
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CAS |
130930-16-4
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Links to other DB |
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