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Entry |
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Classification |
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Carotenoid Name
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(9Z,9'Z)-Tetrahydroastaxanthin;
9Z,9’Z-Tetrahydroastaxanthin
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IUPAC name |
9Z,9'Z-(3R,5S,6S,3'R,5'S,6'S)-3,3'-dihydroxy-5,6,5',6'-tetrahydro-beta,beta-carotene-4,4'-dione
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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
9Z, 9'Z, (3R,5S,6S,3'R,5'S,6'S), 3-OH, 3'-OH, 5,6;H, 5,6+H, beta,beta, 4=O, 4'=O
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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 |
8
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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 |
10.834
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Hydrogen Bond donors
(Lipinski's definition) |
2
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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) |
74.600 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Major carotenoid found in the sea cucumber Plesiocolochirus minutus (Ref.763).
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Minor carotenoid information |
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Source organisms |
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References |
Ref.763: Takashi Maoka, Syu Nakachi, Ryouhei Kobayashi, Miho Mori, Yoshikazu Sakagami, / Tetrahedron Letters 56 (2015) 5954–5955, http://dx.doi.org/10.1016/j.tetlet.2015.09.060, “A new carotenoid, 9Z,9'Z-tetrahydroastaxanthin, from the sea cucumber Plesiocolochirus minutus”.
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CAS |
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Links to other DB |
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