|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
3,4,3',4'-Tetradehydrorhodopin;
1-OH-3,4,3',4'-Tetradehydrolycopene
|
|---|
|
IUPAC name |
3,4,3',4'-Tetradehydro-1,2-dihydro-psi,psi-caroten-1-ol
|
|---|
|
Formula |
C40H54O
|
|---|
|
Molecular Weight |
550.832 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
14
|
|---|
Number of
conjugated multiple bonds |
14
|
|---|
|
Isomers |
Constitutional isomer: CA00159, CA00154, CA00222, CA00223, CA00197, CA00256, CA00711, CA00370, CA00369, CA00966, CA00462, CA00461, CA00590, CA00589, CA00634, CA00654, CA00655, CA00678
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
13.322
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
1
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.000
|
|---|
| Number of heavy atoms |
41
|
|---|
TPSA
(Topological Polar Surface Area) |
20.230 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
Rhodobacter sphaeroides (Ref.208) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodobacteraceae)
|
|---|
|
References |
Ref.208: M Albrecht, A Ruther, G Sandmann, J. Bacteriol. December 1997 vol. 179 no. 23 7462-7467, "Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.".
|
|---|
|
CAS |
|
|---|
|
Links to other DB |
|
|---|
|
