|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
Bacterioruberin monoglucoside
|
|---|
|
IUPAC name |
(2S,2'S)-2-(3-Glucosyloxy-3-methylbutyl)-2'-(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
|
|---|
|
Formula |
C56H86O9
|
|---|
|
Molecular Weight |
903.248 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(2S,2'S), 3,4--H, 3',4'--H, 1,2+H, 1',2'+H, 1-OH, 1'-OH, psi,psi, 2'-isoprene-3-OH, 2-isoprene-3-Glc
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
13
|
|---|
Number of
conjugated multiple bonds |
13
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
12.542
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
7
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
9
|
|---|
| LipinskiFailures |
3
|
|---|
| Complexity of molecule |
0.040
|
|---|
| Number of heavy atoms |
65
|
|---|
TPSA
(Topological Polar Surface Area) |
160.070 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.335: Arpin, N.; Liaaen-Jensen, S.; Trouilloud, M., Acta Chemica Scandinavica, 26(1972), Pages: 2526-2528, "Bacterial Carotenoids. XXXIX. C5O-Carotenoids 10. Bacterioruberin Mono- and Diglucoside.".
Ref.387: Strand, Aase; Shivaji, Sisinthy; Liaaen-Jensen, Synnove, Biochemical Systematics and Ecology (1997), 25(6), 547-552., "Bacterial carotenoids 55. C50-carotenoids 25. Revised structures of carotenoids associated with membranes in psychrotrophic Micrococcus roseus".
|
|---|
|
CAS |
-
|
|---|
|
Links to other DB |
|
|---|
|
