Structure Database (LMSD)

Common Name
Methoxylycopenal
Systematic Name
1-Methoxy-1,2-dihydro-psi,psi-caroten-20-al
Synonyms
LM ID
LMPR01070479
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
Lamprocystis roseopersicina (#53453)
Gammaproteobacteria (#1236)
Carotenoids of Thiorhodeceae. 8. Isolation and characterization of a Thiothece, Lamprocystis and Thiodictyon strain and their carotenoid pigments.,
Arch Mikrobiol, 1968
Pubmed ID: 5711189

String Representations

InChiKey (Click to copy)
ISLLQJLZNPHQIS-LBBYXZEISA-N
InChi (Click to copy)
InChI=1S/C41H58O2/c1-34(2)19-13-21-36(4)23-15-25-37(5)24-14-22-35(3)20-11-12-30-40(33-42)31-17-28-38(6)26-16-27-39(7)29-18-32-41(8,9)43-10/h11-12,14-17,19-20,22-28,30-31,33H,13,18,21,29,32H2,1-10H3/b12-11+,22-14+,25-15+,26-16+,31-17+,35-20+,36-23+,37-24+,38-28+,39-27+,40-30-
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(C)OC)/C=C/C(/C)=C/C=C/C(/C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
87442183
Carotenoid ID
CA00156

Calculated Physicochemical Properties

Heavy Atoms 43
Rings
Aromatic Rings
Rotatable Bonds 19
Van der Waals Molecular Volume 701.12
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 12.25
Molar Refractivity 192.75

Admin

Created at
17th Nov 2021
Updated at
25th Nov 2021