Carotenoids obi
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Entry
CA00975                                                            
Classification
Carotenoid Name
3-Palmitoyloxy-10'-apo-β-caroten-10'-oic acid;
3-Palmitoyloxy-10'-apo-beta-caroten-10'-oic acid
IUPAC name 3-Palmitoyloxy-10'-apo-beta-caroten-10'-oic acid
Formula
C43H66O4
Molecular Weight 
646.958 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one carboxylic acid (9 in total)
Number of
conjugated multiple bonds 
9 including one carboxylic acid (9 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
15.033
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
2
Complexity of molecule
0.053
Number of heavy atoms
47
TPSA
(Topological Polar Surface Area) 
63.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Boronia megastigma (Ref.297) - Land plant: brown boronia (Streptophyta - Rutaceae)
References
  • Ref.297: Cooper, Chris M.; Davies, Noel W.; Menary, Robert C., Journal of Agricultural and Food Chemistry (2009), 57(4), 1513-1520., "Changes in Some Carotenoids and Apocarotenoids during Flower Development in Boronia megastigma (Nees)".
    • CAS
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    Links to other DB

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