|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
3',4'-Didehydro-beta,psi-caroten-16'-oic acid
|
|---|
|
Formula |
C40H52O2
|
|---|
|
Molecular Weight |
564.816 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
14 including one carboxylic acid (14 in total)
|
|---|
Number of
conjugated multiple bonds |
14 including one carboxylic acid (14 in total)
|
|---|
|
Isomers |
Constitutional isomer: CA00183, CA00281, CA00279, CA00280, CA00323, CA00468, CA00471, CA00469, CA00470, CA00467, CA00656, CA00697, CA00698, CA00693, CA01098
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
13.163
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
2
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.064
|
|---|
| Number of heavy atoms |
42
|
|---|
TPSA
(Topological Polar Surface Area) |
37.300 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
Major carotenoid in marine fungi Rhodosporidium babjevae (Golubev) (Ref.729) and in red yeast Rhodotorula glutinis (Ref.734). The most important producers of torulene and torularhodin include yeasts of Rhodotorula and Sporobolomycesgenera (Ref.735).
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.115: Czeczuga, B., Phyton (Horn, Austria) (1979), 19(3-4), 225-32., "Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae".
Ref.506: K. Shivalkar Yada and R. Prabha, Indian Journal of Science and Technology, Vol 7(12), 1973–1977, December 2014, ISSN (Print): 0974-6846 , ISSN (Online): 0974-5645, "Extraction of Pigments from Rhodotorula Species of Dairy Environment".
Ref.729: Sigmund Sperstad et al., Journal of Industrial Microbiology and Biotechnology 33(4):269-73, "Torularhodin and torulene are the major contributors to the carotenoid pool of marine Rhodosporidium babjevae (Golubev)", DOI: 10.1007/s10295-005-0065-0.
Ref.734: Hany M. Yehia et al., Life Science Journal 2013;10(4), "Improvement of Carotenoid Pigments Produced by Rhodotorula glutinis", ISSN: 1097-8135.
Ref.735: Anna M. Kot et al., Microb Cell Fact. 2018; 17: 49., "Torulene and torularhodin: “new” fungal carotenoids for industry?", doi: 10.1186/s12934-018-0893-z.
|
|---|
|
CAS |
514-92-1
|
|---|
|
Links to other DB |
|
|---|
|
