Structure Database (LMSD)

HO OH O O O O O
Common Name
Myxol 2'-dimethyl pentoside
Systematic Name
(3R,2'S)-2'-(α-L-dimethyl-Pentosyl)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
LM ID
LMPR01070544
Formula
Exact Mass
Calculate m/z
744.496505
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
RHSITNWTDJESCJ-DUPVUHCNSA-N
InChi (Click to copy)
InChI=1S/C47H68O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-40-38(6)31-39(48)32-46(40,7)8)21-16-23-35(3)24-18-26-37(5)28-30-41(47(9,10)49)53-45-43(51-12)42(50-11)44(52-13)54-45/h14-30,39,41-45,48-49H,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-,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]2O[C@H](OC)[C@@H](OC)[C@@H]2OC)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
Pubmed ID: 16199557

Other Databases

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 54
Rings 2
Aromatic Rings
Rotatable Bonds 18
Van der Waals Molecular Volume 826.79
Topological Polar Surface Area 88.68
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 12.07
Molar Refractivity 227.37

Admin

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