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Carotenoids DB          Carotenoids DB: CA00484   
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Entry
CA00484                                                            

Classification
Carotenoid Name
Pectenolone
IUPAC name (3S,3'R)-3,3'-Dihydroxy-7',8'-didehydro-beta,beta-caroten-4-one
Formula
C40H52O3
Molecular Weight 
580.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone (10 in total)
Number of
conjugated multiple bonds 
12 including one ketone (12 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
10.096
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.316
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
57.530 Å2
Reaction
  • Substrate: CR00466,  CR00240
  • Product: CR00146,  CR00466
  • Pathway
  • Pathway: CB000063
  • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Clione limacina (Ref.635) - gastropods (Mollusca - Clionidae)
    Paedoclione doliiformis (Ref.635) - gastropods (Mollusca - Clionidae)
    References
  • 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.
  • CAS
    16913-24-9
    Links to other DB
    KNApSAcK: C00023003
    LipidBank: VCA0066
    MassBank: CA000157

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