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Entry |
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Classification |
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Carotenoid Name
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1'-Hydroxy-3,4-didehydrolycopene
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IUPAC name |
1'-Hydroxy-1,2-dihydro-3,4-didehydro-psi,psi-carotene
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Formula |
C40H58O
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Molecular Weight |
554.864 g/mol
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Structure |
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 |
12
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Number of
conjugated multiple bonds |
12
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Isomers |
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InChI |
InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-17,20-30,33,41H,18-19,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
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SMILES |
C(=C(\C=C\C=C(C)C)/C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCCC(C)(C)O)\C)\C)\C)/C)/C
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Canonical SMILES |
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCCC(O)(C)C)\C)\C
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XLogP |
13.436
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
20.230 Å2
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Source organisms |
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References |
Ref.208 : M Albrecht, A Ruther, G Sandmann, J. Bacteriol. December 1997 vol. 179 no. 23 7462-7467, "Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.".
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CAS |
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Links to other DB |
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