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Entry
CA00365                                                            

Classification
Carotenoid Name
Nostoxanthin 3-sulphate;
Nostoxanthin sulfate
IUPAC name Sodium (2R,3R,2'R,3'R)-2,2',3'-Trihydroxy-beta,beta-caroten-3yl sulphate
Formula
C40H56O7S.Na
Molecular Weight 
703.908 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
6.799
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.291
Number of heavy atoms
48
TPSA
(Topological Polar Surface Area) 
135.500 Å2
Reaction
Pathway
Major carotenoid information
Major carotenoid in Erythrobacter flavus strain KJ5. (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)
References
  • 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
    189347-80-6
    Links to other DB
    LipidBank: VCA1023

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