Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S,3'S,5'R,6'R)-5,6-Epoxy-3,3',5'-trihydroxy-6',7'-didehydro-5,6,5',6'-tetrahydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide
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Formula |
C37H48O6
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Molecular Weight |
588.754 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
(3S,5R,6S,3'S,5'R,6'S), 6',7'--H, 5,6+H, 5',6'+H, 3-OH, 3'-OH, 5'-OH, 5,6-Epoxy, 19,11-olide, 12'-nor, 13'-nor, 20'-nor, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
9 including one lactone (9 in total)
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Number of conjugated multiple bonds |
9 including one lactone (9 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 |
7.509
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Hydrogen Bond donors (Lipinski's definition) |
3
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Hydrogen Bond Acceptors (Lipinski's definition) |
6
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LipinskiFailures |
1
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Complexity of molecule |
0.341
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Number of heavy atoms |
43
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TPSA (Topological Polar Surface Area) |
99.520 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.33: J. E. Joansen, W. A. Svec, and S. Liaaen-Jensen, Phytochemistry, 1974, Vol.13 pp.2261-2271, "Carotenoids of the Dinophyceae". Ref.311: Minh, Chau Van; Kiem, Phan Van; Nguyen, Hoai Nam; Nguyen, Xuan Cuong; Nguyen, Phuong Thao; Nguyen, Hai Dang; Quang, Tran Hong; Nguyen, Tien Dat; Thung, Do Cong; Thuy, Dinh Thi Thuy, Tap Chi Hoa Hoc (2010), 48(5), 627-631., "Carotenoids from the soft coral Sarcophyton elegans". Ref.312: Maoka, Takashi; Akimoto, Naoshige; Yim, Mi-Jin; Hosokawa, Masashi; Miyashita, Kazuo, Journal of Agricultural and Food Chemistry (2008), 56(24), 12069-12072., "New C37 Skeletal Carotenoid from the Clam, Paphia amabillis". Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
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CAS |
54369-14-1
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Links to other DB |
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