Structure Database (LMSD)
Common Name
Myxol 2'-dimethyl fucoside
Systematic Name
(3R,2'S)-2'-(α-L-dimethyl-Fucosyl)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
3D model of Myxol 2'-dimethyl fucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YNIWMLHSONPLJN-DKXBYFALSA-N
InChi (Click to copy)
InChI=1S/C48H70O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-41-38(6)31-40(49)32-47(41,8)9)21-16-23-35(3)24-18-26-37(5)28-30-42(48(10,11)51)55-46-45(53-13)43(50)44(52-12)39(7)54-46/h14-30,39-40,42-46,49-51H,31-32H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,29-27+,30-28+,33-19+,34-20+,35-23+,36-25+,37-26+/t39-,40+,42-,43+,44+,45-,46-/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](OC)[C@H](O)[C@H](OC)[C@H](C)O2)C(C)(O)C)=C(C)C[C@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Synechocystis sp. PCC 6803
(#1148)
Myxoxanthophyll is required for normal cell wall structure and thylakoid organization in the cyanobacterium Synechocystis sp. strain PCC 6803.,
J Bacteriol, 2005
J Bacteriol, 2005
Pubmed ID:
16199557
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
2
Aromatic Rings
Rotatable Bonds
17
Van der Waals Molecular Volume
844.09
Topological Polar Surface Area
99.68
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
12.14
Molar Refractivity
232.55
Admin
Created at
17th Nov 2021
Updated at
26th Nov 2021