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Entry
CA00779                                                            
Classification
Carotenoid Name
Synechoxanthin
IUPAC name (all-trans)-chi,chi-Carotene-18,18'-dioic acid
Formula
C42H48O4
Molecular Weight 
616.804 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
17 including carboxylic acid (17 in total)
Number of
conjugated multiple bonds 
17 including carboxylic acid (17 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
14.266
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
2
Complexity of molecule
0.341
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
74.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Synechococcus sp. PCC 7002 (Ref.153) - Cyanobacteria (Cyanobacteria - Synechococcaceae)
References
  • Ref.153: Graham, Joel E.; Lecomte, Juliette T. J.; Bryant, Donald A., Journal of Natural Products (2008), 71(9), 1647-1650., "Synechoxanthin, an aromatic C40 xanthophyll that is a major carotenoid in the cyanobacterium Synechococcus sp. PCC 7002".
    • CAS
    1021432-70-1
    Links to other DB
    ProCarDB: C1822

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