Entry |
|
Classification |
|
Carotenoid Name
| |
IUPAC name |
(2R,3S,3'S)-2,3,3'-Trihydroxy-beta,beta-carotene-4,4'-dione
|
Formula |
C40H52O5
|
Molecular Weight |
612.816 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 |
8.673
|
Hydrogen Bond donors (Lipinski's definition) |
3
|
Hydrogen Bond Acceptors (Lipinski's definition) |
5
|
LipinskiFailures |
1
|
Complexity of molecule |
0.309
|
Number of heavy atoms |
45
|
TPSA (Topological Polar Surface Area) |
94.830 Å2
|
Reaction |
|
Pathway |
|
Major carotenoid information |
|
Minor carotenoid information |
|
Source organisms |
Brevundimonas sp. strain SD212 (Ref.761) - Alphaproteobacteria: nonphototrophic marine bacterium, probably same as Brevundimonas scallop. (Alphaproteobacteria - Caulobacteraceae)
|
References |
Ref.761: Yokoyama A, Miki W, Izumida H, Shizuri Y, Biosci Biotechnol Biochem. 1996 Jan;60(2):200-3. doi: 10.1271/bbb.60.200., "New Trihydroxy-keto-carotenoids Isolated from an Astaxanthin-producing Marine Bacterium.".
|
CAS |
174206-05-4
|
Links to other DB |
|
|