Structure Database (LMSD)
Common Name
Dihydroxylycopene glucoside
Systematic Name
1-(β-D-glucopyranosyloxy)-1,2,1',2'-tetrahydro-psi,psi-carotene
Synonyms
3D model of Dihydroxylycopene glucoside
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)
JRTHOMNAXRJSRF-XYDFVLFWSA-N
InChi (Click to copy)
InChI=1S/C46H70O7/c1-34(21-13-23-36(3)25-15-27-38(5)29-17-31-45(7,8)51)19-11-12-20-35(2)22-14-24-37(4)26-16-28-39(6)30-18-32-46(9,10)53-44-43(50)42(49)41(48)40(33-47)52-44/h11-16,19-28,40-44,47-51H,17-18,29-33H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,34-19+,35-20+,36-23+,37-24+,38-27+,39-28+/t40-,41-,42+,43-,44+/m1/s1
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(O)(C)C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Phaeospirillum
(#85265)
Alphaproteobacteria
(#28211)
Genus specific unusual carotenoids in purple bacteria, Phaeospirillum and Roseospira: structures and biosyntheses.,
Curr Microbiol, 2011
Curr Microbiol, 2011
Pubmed ID:
21547544
Halorhodospira abdelmalekii
(#421629)
Gammaproteobacteria
(#1236)
Dihydroxylycopene diglucoside diesters: a novel class of carotenoids from the phototrophic purple sulfur bacteria Halorhodospira abdelmalekii and Halorhodospira halochloris.,
Arch Microbiol, 2001
Arch Microbiol, 2001
Pubmed ID:
11357508
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
1
Aromatic Rings
Rotatable Bonds
21
Van der Waals Molecular Volume
824.49
Topological Polar Surface Area
121.68
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
11.44
Molar Refractivity
225.25
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021