Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00971   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA00971                                                            
Classification
Carotenoid Name
β-Cryptoxanthin palmitoleate;
beta-Cryptoxanthin palmitoleate
IUPAC name (3R)-3-(9-cis-Hexadecanoyloxy)-beta,beta-Carotene
Formula
C56H86O2
Molecular Weight 
791.248 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
20.523
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.211
Number of heavy atoms
58
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
    178924-47-5
    Links to other DB

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search