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Entry |
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Classification |
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Carotenoid Name
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Glucopyranosyl-1-O-(4,4'-diapo-7',8',11',12'-tetrahydrolycopen-4-oate)-6-O-(2-methylbutanoate)
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IUPAC name |
4-[(6-O-11-tetranoyl-b-D-glucopyranosyl)oxy]-7',8'-dihydro-4,4'-diapo-psi,psi-carotene-4-oic acid
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Formula |
C41H60O8
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Molecular Weight |
680.89 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 ketone (8 in total)
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Number of
conjugated multiple bonds |
8 including one ketone (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 |
9.906
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
8
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| LipinskiFailures |
2
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| Complexity of molecule |
0.055
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| Number of heavy atoms |
49
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TPSA
(Topological Polar Surface Area) |
122.520 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.75: Marshall, John H.; Wilmoth, Gregory H., Journal of Bacteriology (1981), 147(3), 900-13., "Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids".
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CAS |
100330-90-3
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Links to other DB |
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