Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2R,3S)-2,3-Dihydroxy-beta,beta-carotene-4,4'-dione
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Formula |
C40H52O4
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Molecular Weight |
596.816 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 |
13 including two ketones (13 in total)
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Number of conjugated multiple bonds |
13 including two ketones (13 in total)
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Isomers |
Constitutional isomer: CA00169, CA00344, CA00550, CA00502, CA00500, CA00501, CA00532, CA00503, CA00504, CA00497, CA00498, CA00549, CA00662, CA00646, CA00674, CA00740, CA00786
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.219
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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 |
0.312
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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 |
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Minor carotenoid information |
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Source organisms |
Rhizobium lupini (Ref.449) - Alphaproteobacteria: root nodule bacterium (Alphaproteobacteria - Rhizobiaceae)
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References |
Ref.449: Kleinig, Hans; Heumann, Wolfram; Meister, Walter; Englert, Gerhard, Helvetica Chimica Acta (1979), 62(8), 2551-7., "Carotenoids of Rhizobia. I. New carotenoids from Rhizobium lupini".
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CAS |
72826-79-0
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Links to other DB |
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