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Entry
CA00359                                                            
Classification
Carotenoid Name
Caloxanthin 3-sulphate;
Caloxanthin sulfate
IUPAC name Sodium (3R,2'R,3'R)-2',3'-Dihydroxy-beta,beta-carotene-3-yl sulphate
Formula
C40H56O6S.Na
Molecular Weight 
687.908 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
8.033
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
6
LipinskiFailures
2
Complexity of molecule
0.294
Number of heavy atoms
47
TPSA
(Topological Polar Surface Area) 
115.270 Å2
Reaction
Pathway
Major carotenoid information
Major carotenoid in Erythrobacter flavus strain KJ5. (Ref.756); Dominant carotenoid in Erythrobacter longus. (Ref.756)
Minor carotenoid information

Source organisms
Erythrobacter flavus strain KJ5 (Ref.756) - A yellowish marine bacterium that was isolated from a hard coral Acropora nasuta in the Karimunjawa Islands, Indonesia. (Alphaproteobacteria - Erythrobacteraceae)
Erythrobacter longus (Ref.434) - Alphaproteobacteria: marine anoxygenic phototroph with BChl a (Alphaproteobacteria - Erythrobacteraceae)
References
  • Ref.434: Shinichi Takaichi, Kazuo Furihata, Jun-ichi Ishidsu, Keizo Shimada, Phytochemistry, Volume 30, Issue 10, 1991, Pages 3411-3415, "Carotenoid sulphates from the aerobic photosynthetic bacterium, Erythrobacter longus".
  • Ref.756: Edi Setiyono, Heriyanto, Delianis Pringgenies, Yuzo Shioi, Yu Kanesaki, Koichiro Awai 4 and Tatas Hardo Panintingjati Brotosudarmo, Mar. Drugs 2019, 17, 349, “Sulfur-Containing Carotenoids from A Marine Coral Symbiont Erythrobacter flavus Strain KJ5”, doi:10.3390/md17060349.
    • CAS
    137813-38-8
    Links to other DB
    LipidBank: VCA1066

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