Structure Database (LMSD)

Common Name
Rhodopinol glucoside
Systematic Name
(13Z)-1-Glucopyranosyloxy-1,2-dihydro-psi,psi-caroten-20-ol
Synonyms
LM ID
LMPR01070452
Formula
C46H68O7
Exact Mass
Calculate m/z
732.496505
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

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
Pubmed ID: 21547544

String Representations

InChiKey (Click to copy)
OSRGMLQEIIYQMN-GFHGTIOLSA-N
InChi (Click to copy)
InChI=1S/C46H68O7/c1-34(2)18-12-20-36(4)22-14-24-37(5)23-13-21-35(3)19-10-11-29-40(32-47)30-16-27-38(6)25-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-11,13-16,18-19,21-27,29-30,41-45,47-51H,12,17,20,28,31-33H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29+/t41-,42-,43+,44-,45+/m1/s1
SMILES (Click to copy)
C(/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C)(\CO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
163057217
Carotenoid ID
CA00125

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 1
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 821.85
Topological Polar Surface Area 121.68
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 11.22
Molar Refractivity 225.15

Admin

Created at
17th Nov 2021
Updated at
22nd Nov 2021