Carotenoids obi
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Entry
CA00372                                                            
Classification
Carotenoid Name
Isocryptoxanthin
IUPAC name beta,beta-Caroten-4-ol
Formula
C40H56O
Molecular Weight 
552.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
12.704
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.309
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Reaction
Pathway
  • Pathway: CB000105,  CB000106
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Oscillatoria princeps (Ref.510) - Cyanobacteria (Cyanobacteria - Oscillatoriaceae)
    Corbicula clams (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula sandai (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Loligo vulgaris  - European squid (Mollusca - Loliginidae)
    References
  • Ref.510: G. W. Francis, and L. N. Halfen, Phytochemistry1, 1972, Vol. 11, pp. 2347 to 2348. Pergamon Press., "Cyanophyta Oscillatoriaceae, gamma-carotene and lycopene Oscillatoria princeps".
  • 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
    472-62-8
    Links to other DB
    KNApSAcK: C00023231
    MassBank: CA000152

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