|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
3-Keto-3'-hydroxy-ε-carotene;
3-Keto-3'-hydroxy-epsilon-carotene
|
|---|
|
IUPAC name |
(6S,3'R,6'R)-3'-Hydroxy-epsilon,epsilon-caroten-3-one
|
|---|
|
Formula |
C40H54O2
|
|---|
|
Molecular Weight |
566.832 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
9 and 2 including one ketone (11 in total)
|
|---|
Number of
conjugated multiple bonds |
9 and 2 including one ketone (11 in total)
|
|---|
|
Isomers |
Constitutional isomer: CA00184, CA00250, CA00252, CA00257, CA00203, CA00258, CA00259, CA00270, CA00260, CA00324, CA00325, CA00478, CA00473, CA00477, CA00474, CA00475, CA00476, CA00472, CA00541, CA00542, CA00596, CA01234, CA00633, CA00657, CA00635, CA00679, CA00736
Conformer: CA00700, CA00696, CA00699, CA00695
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
11.729
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
2
|
|---|
| LipinskiFailures |
1
|
|---|
| Complexity of molecule |
0.312
|
|---|
| Number of heavy atoms |
42
|
|---|
TPSA
(Topological Polar Surface Area) |
37.300 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.309: Matsuno, Takao; Hirono, Toshihiko; Ikuno, Yoshihiro; Maoka, Takashi; Shimizu, Minoru; Komori, Tadaaki, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1986), 84B(4), 477-81., "Isolation of three new carotenoids and proposed metabolic pathways of carotenoids in hen's egg yolk".
|
|---|
|
CAS |
140460-59-9
|
|---|
|
Links to other DB |
|
|---|
|
