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Entry |
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Classification |
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Carotenoid Name
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Methyl 4,4'-diapolycopene-dioate
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IUPAC name |
Methyl-4,4'-diapo-psi,psi-carotene-4,4'-dioic acid
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Formula |
C31H38O4
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Molecular Weight |
474.614 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
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Number of
conjugated multiple bonds |
13
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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 |
8.353
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
35
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TPSA
(Topological Polar Surface Area) |
63.600 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 |
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References |
Ref.76: Steiger, S.; Perez-Fons, L.; Fraser, P. D.; Sandmann, G., Journal of Applied Microbiology (2012), 113(4), 888-895., "Biosynthesis of a novel C30 carotenoid in Bacillus firmus isolates".
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CAS |
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Links to other DB |
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