Structure Database (LMSD)

Common Name
Rhodopinal glucoside
Systematic Name
(13Z)-1-Glucosyloxy-1,2-dihydro-psi,psi-caroten-20-al
Synonyms
LM ID
LMPR01070483
Formula
C46H66O7
Exact Mass
Calculate m/z
730.480856
Status
Curated
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
Rhodoblastus acidophilus (#1074)
Alphaproteobacteria (#28211)
Carotenoids and Carotenogenesis in Anoxygenic Photosynthetic Bacteria,
The Photochemistry of Carotenoids, 2004

String Representations

InChiKey (Click to copy)
KMCAYUSNEOYNIP-GFHGTIOLSA-N
InChi (Click to copy)
InChI=1S/C46H66O7/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/h10-11,13-16,18-19,21-27,29-30,32,41-45,48-51H,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=O)(\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(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)\CC/C=C(\C)/C

Other Databases

KEGG ID
C16271
PubChem CID
23724687
Carotenoid ID
CA00162

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 1
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 819.21
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 11.14
Molar Refractivity 223.64

Admin

Created at
17th Nov 2021
Updated at
25th Nov 2021