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Entry |
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Classification |
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Carotenoid Name
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3',4'-Epoxymonoanhydrobacterioruberin
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IUPAC name |
(2S,2'-,3'-,4'-)-3',4'-Epoxy-2-(3-hydroxy-3-methylbutyl)-2'-(3-methylbut-2-enyl)-3,4-didehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
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Formula |
C50H74O4
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Molecular Weight |
739.092 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
(2S,2'-,3'-,4'-), 3,4--H, 1,2+H, 1',2'+H, 1-OH, 1'-OH, 3',4'-Epoxy, psi,psi, 2'-isoprene, 2-isoprene-3-OH
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Biological functions/Properties |
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Number of
conjugated double bonds |
12
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Number of
conjugated multiple bonds |
12
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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 |
13.045
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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 |
2
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| Complexity of molecule |
0.023
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| Number of heavy atoms |
54
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TPSA
(Topological Polar Surface Area) |
73.220 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 |
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CAS |
165675-36-5
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Links to other DB |
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