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Carotenoids DB          Carotenoids DB: CA00296   
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Entry
CA00296                                                            
Classification
Carotenoid Name
Crassostreaxanthin A
IUPAC name (3R,3'R,5'R,6'S)-3',6'-Epoxy-3-hydroxy-6'-methyl-7,8-didehydro-1',2',5',6',7',8'-hexahydro-16'-nor-beta,psi-carotene-1',8'-dione
Formula
C40H54O4
Molecular Weight 
598.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 including one ketone (8 in total)
Number of
conjugated multiple bonds 
10 including one ketone (10 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
8.485
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
2
Complexity of molecule
0.296
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
63.600 Å2
Reaction
  • Product: CR00393
    • Pathway
  • Pathway: CB000093
    • Major carotenoid information

    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)
    Crassostrea gigas (Ref.270) - Shellfish: pacific oyster (Mollusca - Ostreidae)
    References
  • Ref.270: Y Fujiwara, T Maoka, M Ookubo, T Matsuno - Tetrahedron letters, 1992, Volume 33, Issue 34, 18 August 1992, Pages 4941–4944 "Crassostreaxanthins A and B, novel marine carotenoids from the oyster Crassostrea gigas".
  • 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)".
    • CAS
    144615-56-5
    Links to other DB
    KNApSAcK: C00023166
    MassBank: CA000034

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