Structure Database (LMSD)

Common Name
Myxol 2'-methyl hexoside
Systematic Name
(3R,2'S)-2'-(α-L-methyl-Hexosyl)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
LM ID
LMPR01070551
Formula
C47H68O8
Exact Mass
Calculate m/z
760.49142
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
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)
OPGAPMWARLQMJO-NVGJCBQPSA-N
InChi (Click to copy)
InChI=1S/C47H68O8/c1-32(17-12-13-18-33(2)20-15-23-35(4)25-27-39-37(6)29-38(49)30-46(39,7)8)19-14-21-34(3)22-16-24-36(5)26-28-41(47(9,10)52)55-45-44(53-11)43(51)42(50)40(31-48)54-45/h12-28,38,40-45,48-52H,29-31H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t38-,40-,41+,42-,43+,44+,45+/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](O)[C@@H](CO)O2)C(C)(O)C)=C(C)C[C@H]1O

Other Databases

PubChem CID
162910692
Carotenoid ID
CA00959

Calculated Physicochemical Properties

Heavy Atoms 55
Rings 2
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 835.58
Topological Polar Surface Area 130.91
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 10.74
Molar Refractivity 229.66

Admin

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