|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
(9Z)-Chlorobactene;
9-cis-Chlorobactene
|
|---|
|
IUPAC name |
(9Z)-phi,psi-Carotene
|
|---|
|
Formula |
C40H52
|
|---|
|
Molecular Weight |
532.816 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
13
|
|---|
Number of
conjugated multiple bonds |
13
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
16.145
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
0
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
0
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.065
|
|---|
| Number of heavy atoms |
40
|
|---|
TPSA
(Topological Polar Surface Area) |
0.000 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
223262-20-2
|
|---|
|
Links to other DB |
|
|---|
|
