Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00018   
[   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
CA00018                                                            
Classification
Carotenoid Name
Diapolycopenedioic acid glucosyl ester
IUPAC name 4-beta-D-Glucopyranosyl hydrogen 4,4'-diapo-psi,psi-carotene-4,4'-dioate
Formula
C36H46O9
Molecular Weight 
622.728 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including two ketones (13 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
6.726
Hydrogen Bond donors
(Lipinski's definition)
5
Hydrogen Bond Acceptors
(Lipinski's definition)
9
LipinskiFailures
2
Complexity of molecule
0.066
Number of heavy atoms
45
TPSA
(Topological Polar Surface Area) 
153.750 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Rhizobium sp. (Ref.82) - Alphaproteobacteria: root nodule bacterium (Alphaproteobacteria - Rhizobiaceae)
Methylobacterium rhodinum -formerly Pseudomonas rhodos (Ref.73) - Alphaproteobacteria (Alphaproteobacteria - Methylobacteriaceae)
References
  • Ref.82: Kleinig, H.; Broughton, W. J., Archives of Microbiology (1982), 133(2), 164., "Carotenoid pigments in a red strain of Rhizobium from Lotononis bainesii Baker".
  • Ref.73: Kleinig, Hans; Schmitt, Ruediger; Meister, Walter; Englert, Gerhard; Thommen, Hans, Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1979), 34C(3-4), 181-5., "New C30-​carotenoic acid glucosyl esters from Pseudomonas rhodos".
    • CAS
    70240-67-4
    Links to other DB
    KNApSAcK: C00023145

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