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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S,3'S,5'R,6'S)-5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3-laurate-3'-laurate
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Formula |
C64H100O6
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Molecular Weight |
965.44 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6S,3'S,5'R,6'S), 5,6+H, 5',6'+H, 5,6-Epoxy, 5',6'-Epoxy, beta,beta, 3-Dodecanoyloxy, 3'-Dodecanoyloxy
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Biological functions/Properties |
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Number of
conjugated double bonds |
9
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Number of
conjugated multiple bonds |
9
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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 |
21.192
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
2
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| Complexity of molecule |
0.188
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| Number of heavy atoms |
70
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TPSA
(Topological Polar Surface Area) |
77.660 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 |
Malus domestica (Ref.778) - Land plant: Rosaceae: peel and flesh of apple fruits (Streptophyta - Rosaceae)
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References |
Ref.778: Raúl Delgado-Pelayo, Lourdes Gallardo-Guerrero, Dámaso Hornero-Méndez, Food Research International 65:272, November 2014, “Chlorophyll and carotenoid pigments in the peel and flesh of commercial apple fruit varieties.”, DOI: 10.1016/j.foodres.2014.03.025.
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CAS |
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Links to other DB |
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