Entry |
|
Classification |
|
Carotenoid Name
| |
IUPAC name |
beta,beta-Carotene-3,4,3',4'-tetrol
|
Formula |
C40H56O4
|
Molecular Weight |
600.848 g/mol
|
Structure |
Search similar carotenoids

Mol file
|
Carotenoid DB Fingerprints |
|
Biological functions/Properties |
|
Number of conjugated double bonds |
11
|
Number of conjugated multiple bonds |
11
|
Isomers |
Constitutional isomer: CA00137, CA01092, CA01100, CA01101, CA00350, CA00348, CA00349, CA00346, CA00965, CA00415, CA00439, CA00440, CA00419, CA00441, CA00442, CA00443, CA00444, CA00445, CA00414, CA00421, CA00420, CA00417, CA00418, CA00416, CA00555, CA00584, CA00626, CA00631, CA00647, CA00648, CA00701, CA00746, CA00745, CA00744, CA00747, CA00743, CA00785
|
InChI |
|
InChIKey |
|
Canonical SMILES |
|
XLogP |
9.050
|
Hydrogen Bond donors (Lipinski's definition) |
4
|
Hydrogen Bond Acceptors (Lipinski's definition) |
4
|
LipinskiFailures |
1
|
Complexity of molecule |
0.300
|
Number of heavy atoms |
44
|
TPSA (Topological Polar Surface Area) |
80.920 Å2
|
Reaction |
|
Pathway |
|
Major carotenoid information |
|
Minor carotenoid information |
|
Source organisms |
|
References |
Ref.450: Bandaranayake, Wickramasinghe M.; Gentien, Patrick, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1982), 72B(3), 409-14., "Carotenoids of Temora turbinata, Centropages furcatus, Undinula vulgaris, and Euchaeta russelli".
|
CAS |
6094-35-5
|
Links to other DB |
|
|