Carotenoids obi
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Entry
CA00973                                                            
Classification
Carotenoid Name
β-Cryptoxanthin oleate;
beta-Cryptoxanthin oleate
IUPAC name (3R)-3-(9-cis-Octadecanoyloxy)-beta,beta-Carotene
Formula
C54H82O2
Molecular Weight 
763.196 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
21.661
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.203
Number of heavy atoms
60
TPSA
(Topological Polar Surface Area) 
26.300 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Citrus reticulata (Ref.292) - Land plant: mandarin orange, tangerine (Streptophyta - Rutaceae)
References
  • Ref.292: Thomas Wingerath ,Wilhelm Stahl ,Dieter Kirsch, Raimund Kaufmann, and Helmut Sies, J. Agric. Food Chem., 1996, 44 (8), pp 2006–2013, DOI: 10.1021/jf960057y, "Fruit Juice Carotenol Fatty Acid Esters and Carotenoids As Identified by Matrix-Assisted Laser Desorption Ionization (MALDI) Mass Spectrometry".
    • CAS
    73690-04-7
    Links to other DB

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