Structure Database (LMSD)
Common Name
Bacteriorubixanthinal
Systematic Name
(3R)-3-Hydroxy-1'-methoxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-19'-al
Synonyms
3D model of Bacteriorubixanthinal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DFOYVSCLGRVGJK-FYGUBCMKSA-N
InChi (Click to copy)
InChI=1S/C41H56O3/c1-32(19-13-20-35(4)26-27-39-36(5)29-38(43)30-40(39,6)7)17-11-12-18-33(2)21-14-24-37(31-42)25-15-22-34(3)23-16-28-41(8,9)44-10/h11-27,31,38,43H,28-30H2,1-10H3/b12-11+,19-13+,21-14+,23-16+,25-15+,27-26+,32-17+,33-18+,34-22+,35-20+,37-24-/t38-/m1/s1
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C=O)/C=C/C=C(\C)/C=C/CC(C)(OC)C)=C(C)C[C@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Erythrobacter longus
(#1044)
Alphaproteobacteria
(#28211)
Carotenoids from the aerobic photosynthetic bacterium, Erythrobacter longus: β-Carotene and its hydroxyl derivatives",
Arch Microbiol, 1990
Arch Microbiol, 1990
DOI:
10.1007/BF00247807
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
1
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
697.55
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
11.12
Molar Refractivity
192.47
Admin
Created at
17th Nov 2021
Updated at
29th Nov 2021