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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(5R,6R)-5,6-Dihydroxy-5,6-dihydro-10'-apo-beta-caroten-10'-oic acid
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Formula |
C27H38O4
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Molecular Weight |
426.574 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 |
8 including one carboxylic acid (8 in total)
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Number of
conjugated multiple bonds |
8 including one carboxylic acid (8 in total)
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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 |
6.284
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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 |
0.087
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| Number of heavy atoms |
31
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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 |
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References |
Ref.231: Agrawal, Poonam; Laddha, Kirti; Tiwari, Ashok, Agrawal, Poonam; Laddha, Kirti; Tiwari, Ashok., "Isolation and HPLC method development of azafrin from Alectra parasitica var. chitrakutensis".
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CAS |
507-61-9
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Links to other DB |
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