Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00337   
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Entry
CA00337                                                            
Classification
Carotenoid Name
Pectenol A;
Pectenol
IUPAC name (3S,4R,3'R)-7',8'-Didehydro-beta,beta-carotene-3,4,3'-triol
Formula
C40H54O3
Molecular Weight 
582.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
9.773
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.309
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
60.690 Å2
Reaction
  • Substrate: CR00146
  • Product: CR00194
    • Pathway
  • Pathway: CB000063
    • Major carotenoid information
    Major carotenoid of the Rosary Goby Gymnogobius castaneus (Ref.772).
    Minor carotenoid information

    Source organisms
    Corbicula clams (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula sandai (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Clione limacina (Ref.635) - gastropods (Mollusca - Clionidae)
    Paedoclione doliiformis (Ref.635) - gastropods (Mollusca - Clionidae)
    Gymnogobius castaneus (Ref.772) - Bony fish: Rosary goby, small goby（4～6 cm body length）that inhabits the middle stretches of rivers, lakes, and lagoons in North Eastern Japan. Its tail fin is bright orange in color. (Chordata - Gobiidae)
    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.635: Takashi Maoka, Takashi Kuwahara, and Masanao Narita, Mar. Drugs 2014, 12, 1460-1470, "Carotenoids of Sea Angels Clione limacina and Paedoclione doliiformis from the Perspective of the Food Chain", doi:10.3390/md12031460.
  • Ref.772: Takashi Maoka, J. Oleo Sci. 67, (10) 1259-1263 (2018), “New Acetylenic Carotenoid 6’-Epimonadoxanthin from the Rosary Goby Gymnogobius castaneus”, doi: 10.5650/jos.ess18153.
    • CAS
    81704-35-0
    Links to other DB
    KNApSAcK: C00022909
    LipidBank: VCA0067

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