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Entry |
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Classification |
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Carotenoid Name
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3,4,3'-Trihydroxy-β-carotene;
3,4,3'-Trihydroxy-beta-carotene
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IUPAC name |
beta,beta-Carotene-3,4,3'-triol
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Formula |
C40H56O3
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Molecular Weight |
584.848 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: CA00227, CA00228, CA00394, CA00378, CA00342, CA00338, CA00341, CA00410, CA00436, CA00437, CA00407, CA00408, CA00412, CA00438, CA00411, CA00409, CA00583, CA00607, CA00606, CA00609, CA00608, CA00618, CA00627, CA00630, CA00624, CA00625, CA01047, CA00761, CA00762, CA00739
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.807
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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 |
1
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| Complexity of molecule |
0.303
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| Number of heavy atoms |
43
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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.450: Bandaranayake, Wickramasinghe M.; Gentien, Patrick, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1982), 72B(3), 409-14., "Carotenoids of Temora turbinata, Centropages furcatus, Undinula vulgaris, and Euchaeta russelli".
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CAS |
70800-74-7
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Links to other DB |
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