Structure Database (LMSD)

Common Name
Myxol 2'-rhamnoside
Systematic Name
(3R,2'S)-2'-(α-L-Rhamnosyloxy)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
LM ID
LMPR01070539
Formula
C46H66O7
Exact Mass
Calculate m/z
730.480855
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
Synechococcus elongatus (#32046)
Cyanophyceae (#3028117)
The carotenoids of blue-green algae,
Phytochemistry, 1971

String Representations

InChiKey (Click to copy)
MUCOHWBULSBLLZ-AUWWDLDMSA-N
InChi (Click to copy)
InChI=1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38+,40-,41-,42+,43+,44+/m0/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](O)[C@H](O)[C@@H](O)[C@H](C)O2)C(C)(O)C)=C(C)C[C@H]1O

Other Databases

PubChem CID
162905297
Carotenoid ID
CA00230

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 2
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 809.49
Topological Polar Surface Area 121.68
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 10.83
Molar Refractivity 222.97

Admin

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