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Entry
CA00981                                                            

Classification
Carotenoid Name
Hydratoperidinin
IUPAC name (3S,5R,6S,3'S,5R,6'R)-3'-ethanoyloxy-6',7'-didehydro-3,5,6,5'-tetrahydroxy--12',13',20'-trinor-beta,beta-caroten-19,11-olide
Formula
C39H52O8
Molecular Weight 
648.806 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one lactone (9 in total)
Number of
conjugated multiple bonds 
9 including one lactone (9 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
7.660
Hydrogen Bond donors
(Lipinski's definition)
4
Hydrogen Bond Acceptors
(Lipinski's definition)
8
LipinskiFailures
1
Complexity of molecule
0.303
Number of heavy atoms
47
TPSA
(Topological Polar Surface Area) 
133.520 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
Rumphella aggregata (Ref.316) - Soft coral (Cnidaria - Plexauridae)
References
  • 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)".
  • Ref.316: Liu, Cai-xia; Li, Ping-lin; Tang, Xu-li; Li, Guo-qiang, Zhongguo Haiyang Yaowu (2012), 31(5), 5-10., "Studies on chemical constituents of the south China sea gorgonian rumphella aggregata".
  • CAS
    866025-63-0
    Links to other DB
    MassBank: CA000122

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