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Entry
CA00033                                                            
Classification
Carotenoid Name
Acetyl-4,4'-diapolycopene-4,4'-dioate
IUPAC name Acetyl-4,4'-diapo-psi,psi-carotene-4,4'-dioic acid
Formula
C32H38O5
Molecular Weight 
502.624 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
8.803
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
5
LipinskiFailures
2
Complexity of molecule
0.000
Number of heavy atoms
37
TPSA
(Topological Polar Surface Area) 
80.670 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Sporosarcina aquimarina (Ref.77) - Firmicutes - Bacilli (Firmicutes - Planococcaceae)
References
  • Ref.77: Steiger, Sabine; Perez-Fons, Laura; Fraser, Paul D.; Sandmann, Gerhard, Archives of Microbiology (2012), 194(9), 779-784., "The biosynthetic pathway to a novel derivative of 4,​4'-​diapolycopene-​4,​4'-​oate in a red strain of Sporosarcina aquimarina".
    • CAS
    1431384-58-5
    Links to other DB

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