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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2R,3S,3'R)-2,3,3'-Trihydroxy-beta,beta-caroten-4-one
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Formula |
C40H54O4
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Molecular Weight |
598.832 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 |
12 including one ketone (12 in total)
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Number of
conjugated multiple bonds |
12 including one ketone (12 in total)
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Isomers |
Constitutional isomer: CA00185, CA00266, CA00296, CA00295, CA00345, CA00534, CA00508, CA00565, CA00554, CA00507, CA00509, CA00671, CA00742, CA00741
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.107
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
1
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| Complexity of molecule |
0.306
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| Number of heavy atoms |
44
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TPSA
(Topological Polar Surface Area) |
77.760 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 |
Brevundimonas sp. strain SD212 (Ref.761) - Alphaproteobacteria: nonphototrophic marine bacterium, probably same as Brevundimonas scallop. (Alphaproteobacteria - Caulobacteraceae)
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References |
Ref.761: Yokoyama A, Miki W, Izumida H, Shizuri Y, Biosci Biotechnol Biochem. 1996 Jan;60(2):200-3. doi: 10.1271/bbb.60.200., "New Trihydroxy-keto-carotenoids Isolated from an Astaxanthin-producing Marine Bacterium.".
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CAS |
174206-06-5
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Links to other DB |
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