Structure Database (LMSD)

Common Name
Zeaxanthin monomethyl ether
Systematic Name
3'-Methoxy-β,β-caroten-3-ol
Synonyms
  • 3-Methoxyzeaxanthin
LM ID
LMPR01070651
Formula
C41H58O2
Exact Mass
Calculate m/z
582.44368
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
Homo sapiens (#9606)
Mammalia (#40674)
Identification of 3-methoxyzeaxanthin as a novel age-related carotenoid metabolite in the human macula.,
Invest Ophthalmol Vis Sci, 2007
Pubmed ID: 17389468

String Representations

InChiKey (Click to copy)
CHXMWPSKJUTLIQ-DGBNVKNUSA-N
InChi (Click to copy)
InChI=1S/C41H58O2/c1-30(18-14-20-32(3)22-24-38-34(5)26-36(42)28-40(38,7)8)16-12-13-17-31(2)19-15-21-33(4)23-25-39-35(6)27-37(43-11)29-41(39,9)10/h12-25,36-37,42H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+
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/C2=C(C)CC(OC)CC2(C)C)=C(C)CC1O

Other Databases

PubChem CID
87444014
Carotenoid ID
CA00376

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 681.68
Topological Polar Surface Area 29.46
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.77
Molar Refractivity 189.99

Admin

Created at
17th Nov 2021
Updated at
2nd Dec 2021