Structure Database (LMSD)

Common Name
Myxol 2'-dimethyl hexoside
Systematic Name
(3R,2'S)-2'-(α-L-dimethyl-Hexosyl)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
LM ID
LMPR01070553
Formula
C48H70O8
Exact Mass
Calculate m/z
774.50707
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
Synechocystis sp. PCC 6803 (#1148)
Cyanophyceae (#3028117)
Myxoxanthophyll is required for normal cell wall structure and thylakoid organization in the cyanobacterium Synechocystis sp. strain PCC 6803.,
J Bacteriol, 2005
Pubmed ID: 16199557

String Representations

InChiKey (Click to copy)
NQTGMGXZDSLKBZ-XDTUAQDLSA-N
InChi (Click to copy)
InChI=1S/C48H70O8/c1-33(18-13-14-19-34(2)21-16-24-36(4)26-28-40-38(6)30-39(50)31-47(40,7)8)20-15-22-35(3)23-17-25-37(5)27-29-42(48(9,10)52)56-46-45(54-12)43(51)44(53-11)41(32-49)55-46/h13-29,39,41-46,49-52H,30-32H2,1-12H3/b14-13+,20-15+,21-16+,23-17+,28-26+,29-27+,33-18+,34-19+,35-22+,36-24+,37-25+/t39-,41-,42+,43+,44-,45+,46+/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)/C=C/C=C(\C)/C=C/[C@H](O[C@H]2[C@@H](OC)[C@@H](O)[C@H](OC)[C@@H](CO)O2)C(C)(O)C)=C(C)C[C@H]1O

Other Databases

PubChem CID
163057283
Carotenoid ID
CA00960

Calculated Physicochemical Properties

Heavy Atoms 56
Rings 2
Aromatic Rings
Rotatable Bonds 18
Van der Waals Molecular Volume 852.88
Topological Polar Surface Area 119.91
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 11.39
Molar Refractivity 234.45

Admin

Created at
17th Nov 2021
Updated at
26th Nov 2021