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Entry |
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Classification |
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Carotenoid Name
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Didemethylspirilloxanthin;
1,1'-Dihydroxy-3,4,3',4'-tetradehydrolycopene
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IUPAC name |
3,4,3',4'-Tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
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Formula |
C40H56O2
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Molecular Weight |
568.848 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
3,4--H, 3',4'--H, 1,2+H, 1',2'+H, 1-OH, 1'-OH, psi,psi
( Help )
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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 |
Constitutional isomer: CA01213, CA00140, CA00079, CA00164, CA00207, CA00208, CA00204, CA00218, CA00233, CA00234, CA00206, CA00205, CA00249, CA00248, CA00261, CA00373, CA00374, CA00327, CA00326, CA00375, CA00328, CA00329, CA00330, CA00331, CA00399, CA00435, CA00402, CA00401, CA00400, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA00692, CA00691, CA00689, CA00686, CA00687, CA00685, CA00682, CA00690, CA00683, CA00684, CA00688, CA01228, CA00737
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.142
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
40.460 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 |
Minor carotenoid in Gemmatimonas aurantiaca strain T-27 (Ref.731).
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Source organisms |
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References |
Ref.348: Takaichi, Shinichi; Maoka, Takashi; Takasaki, Kazuto; Hanada, Satoshi, Microbiology (Reading, United Kingdom) (2010), 156(3), 757-763., "Carotenoids of Gemmatimonas aurantiaca (Gemmatimonadetes): Identification of a novel carotenoid, deoxyoscillol 2-rhamnoside, and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside".
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.".
Ref.731: Shinichi Takaichi, Takashi Maoka, Kazuto Takasaki and Satoshi Hanada, Microbiology (2010), 156, 757–763, "Carotenoids of Gemmatimonas aurantiaca(Gemmatimonadetes): identification of a novel carotenoid, deoxyoscillol 2-rhamnoside, and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside".
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CAS |
163595-76-4
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Links to other DB |
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