Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00406   
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Entry
CA00406                                                            

Classification
Carotenoid Name
Diadinochrome
IUPAC name (3S,5R,8RS,3'R)-5,8-Epoxy-7',8'-didehydro-5,8-dihydro-beta,beta-carotene-3,3'-diol
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 
7
Number of
conjugated multiple bonds 
9
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
8.476
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.320
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
49.690 Å2
Reaction
Pathway
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)
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)".
  • CAS
    24381-84-8
    Links to other DB
    KNApSAcK: C00023239
    MassBank: CA000050

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