Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2R,3R,2'R,3'R)-beta,beta-Carotene-2,3,2',3'-tetrol
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Formula |
C40H56O4
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Molecular Weight |
600.848 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 |
11
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Number of conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA00137, CA01092, CA01100, CA01101, CA00350, CA00347, CA00979, CA01093, CA01094, CA00348, CA00349, CA00965, CA00415, CA00439, CA00440, CA00419, CA00441, CA00442, CA00443, CA00444, CA00445, CA00414, CA00421, CA00420, CA00417, CA00418, CA00416, CA00555, CA00584, CA00626, CA00631, CA00647, CA00648, CA00701, CA00746, CA00745, CA00744, CA00747, CA00743, CA00785
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
8.096
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Hydrogen Bond donors (Lipinski's definition) |
4
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Hydrogen Bond Acceptors (Lipinski's definition) |
4
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LipinskiFailures |
1
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Complexity of molecule |
0.300
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Number of heavy atoms |
44
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TPSA (Topological Polar Surface Area) |
80.920 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Major carotenoid in Thermo-synechococcus elongatus and Synechococcus spp. (Ref.732).; Also major in Erythrobacter flavus strain KJ5 and Erythrobacter nanhaesediminis. (Ref.756)
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Minor carotenoid information |
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Source organisms |
Erythrobacter flavus strain KJ5 (Ref.756) - A yellowish marine bacterium that was isolated from a hard coral Acropora nasuta in the Karimunjawa Islands, Indonesia. (Alphaproteobacteria - Erythrobacteraceae)Erythrobacter longus (Ref.364) - Alphaproteobacteria: marine anoxygenic phototroph with BChl a (Alphaproteobacteria - Erythrobacteraceae)Erythrobacter nanhaesediminis (Ref.756) - Gram-negative, rod-shaped and slightly halophilic bacteria from the genus of Erythrobacter which has been isolated from sediment from the South China Sea. (Alphaproteobacteria - Erythrobacteraceae)Calothrix parietina (Ref.1) - Cyanobacteria: a hair-forming cyanobacteria rom an upland stream (Cyanobacteria - Rivulariaceae)Synechococcus elongatus (Ref.1) - Cyanobacteria: freshwater unicellular cyanobacterium (Cyanobacteria - Synechococcaceae)Anacystis nidulans (Ref.1) - Cyanobacteria: other name is Synechococcus elongatus PCC 7942 (Cyanobacteria - Synechococcaceae)Nostoc commune (Ref.1) - Cyanobacteria: star jelly, witch's butter, mare's eggs, fah-tsai and facai, eaten as a salad (Cyanobacteria - Nostocaceae)
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References |
Ref.1: S. Hertzberg, S. Liaaen-Jensen, and H. W. Siegelman, Phytochemistry, 1971, Vol. 10, pp. 3121 - 3127 "The carotenois of blue-green algae". Ref.364: S. Takaichi, K. Shimada, and J. Ishidsu, Arch Microbiol.(1990) 153:118-122, "Carotenoids from the aerobic photosynthetic bacterium, Erythrobacter longus: β-Carotene and its hydroxyl derivatives". Ref.756: Edi Setiyono, Heriyanto, Delianis Pringgenies, Yuzo Shioi, Yu Kanesaki, Koichiro Awai 4 and Tatas Hardo Panintingjati Brotosudarmo, Mar. Drugs 2019, 17, 349, “Sulfur-Containing Carotenoids from A Marine Coral Symbiont Erythrobacter flavus Strain KJ5”, doi:10.3390/md17060349. Ref.732: S. Takaichia and M. Mochimaru, Cell. Mol. Life Sci. 64 (2007) 2607 – 2619, "Carotenoids and carotenogenesis in cyanobacteria: unique ketocarotenoids and carotenoid glycosides", DOI 10.1007/s00018-007-7190-z.
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CAS |
29307-44-6
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Links to other DB |
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