Structure Database (LMSD)

Common Name
Myxol 2'-hexoside
Systematic Name
(3R,2'S)-2'-(α-L-Hexosyl)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
LM ID
LMPR01070552
Formula
C46H66O8
Exact Mass
Calculate m/z
746.47577
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)
VJHXSZGYVIKVEU-XZHKQVCKSA-N
InChi (Click to copy)
InChI=1S/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40+,41-,42+,43+,44+/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](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(C)(O)C)=C(C)C[C@H]1O

Other Databases

PubChem CID
162917267
Carotenoid ID
CA00958

Calculated Physicochemical Properties

Heavy Atoms 54
Rings 2
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 818.28
Topological Polar Surface Area 141.91
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 10.08
Molar Refractivity 224.87

Admin

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