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
LM ID
LMPR01070550
Formula
C48H70O7
Exact Mass
Calculate m/z
758.512155
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)
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

Other Databases

KEGG ID
C15937
CHEBI ID
80191
PubChem CID
23724610
Carotenoid ID
CA00956

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