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Carotenoids DB          Carotenoids DB: CA00731   
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Entry
CA00731                                                            
Classification
Carotenoid Name
Aaptopurpurin
IUPAC name 3-Methoxy-beta,chi-carotene
Formula
C41H54O
Molecular Weight 
562.842 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
14.653
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
2
Complexity of molecule
0.312
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
9.230 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Aaptos aaptos (Ref.289) - Sea sponge (Porifera - Suberitidae)
References
  • Ref.289: 田中淑人， 伊藤良仁, 日本水産學會誌 51(10), 1743-1743, 1985-10, "海綿動物Aaptos aaptos中の新カロテノイドAaptopurpurinの構造".
    • CAS
    100288-41-3
    Links to other DB
    KNApSAcK: C00022843
    LipidBank: VCA1148

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